INSTITUTE OF CHEMICAL BIOLOGY
 
  Drug Discovery
  Molecular Analysis
  Organic and Organometallic Chemistry
  Medicinal Chemistry
  Synthetic and Medicinal Chemistry
  Synthetic Medicinal Chemistry and Chemical Biology
  Identification & validation of novel therapeutic targets - Biological evaluation of bioactive small molecules and drugs
  Structural Biology & Chemistry
  Cryogenic electronic microscopy (Cryo-EM) with emphasis on study of proteins, of their interactions and of subcellular particles
  Molecular Endocrinology
  Signal Mediated Gene Expression
  Molecular & Cellular Ageing
  Biomedical Applications
  Holistic Approaches in Health
  Environment and Health
  Metabolic Engineering-Bioinformatics
  Biomarker Discovery & Translational Research
  Bioinformatics focusing on the development of new methodologies and tools
  Biotechnology
  Enzyme and Synthetic Biotechnology
  Biomimetics & Nanobiotechnology
  Conjugated Polymers for Healthcare, Bioelectronics and Bioimaging

 

Cryogenic electronic microscopy (Cryo-EM) with emphasis on study of proteins, of their interactions and of subcellular particles
Dr. Panagiotis Kastritis | Senior Researcher, Group Leader, Era Chair Holder

 

Research Directions - Aims

Hot4cryo aims to attract and maintain a prominent researcher (ERA Chair) together with a high-quality supporting team to advance multidisciplinary research in the National Hellenic Research Foundation (NHRF) by founding the high-resolution electron cryo-microscopy Unit for Excellence, i.e., CryoUNITe, unique in Greece, the Balkans, and Southeast Europe.

While cryo-EM technology is transforming international research in exciting, multiple directions, substantial disparity exists in its possession across European countries and is absent in the complete Southeast Europe. This hampers innovations in biomolecular and materials structure research and development and limits progress of EU Missions Cancer, Soil, and Green Deal, which align to the research directions of NHRF and the prospective ERA Chair Holder.

Hot4cryo plans to address this issue, aims to eliminate this disparity, and envisions to urgently transmit the “resolution revolution” to Greece and the wider region, emerging as a cultural hub for seeding Horizon Europe’s strategic plan across players and the society.

CryoUNITe will be embedded in NHRF, enhancing institutional structural transformations. Hot4cryo will bring high-end cryo-EM knowledge for a wide range of systems in alignment with ERA priorities.

Details on Hot4cryo ERA Chair: https://cordis.europa.eu/project/id/101086665/results/es

Hot4cryo project website: https://hot4cryo.com

 

Group Structure and Personnel

Dr. Panagiotis Kastritis, Senior Researcher, Group Leader, Era Chair Holder
Dr. Photis Kyrilis, Postdoctoral Associate, Junior Group Leader in the ERA Chair project
Dr.-Ing. Naya Koralli, Postdoctoral Associate
Dr. Despoina Angelaki, Postdoctoral Associate
Greg Kafetzopoulos, Phd Candidate
Andreas Zamanos, Phd Candidate
Olga Sinanidi, Social Media and Communication Manager

 

 

Team Members Short BIOs

Dr. Panagiotis Kastritis

Era Chair Holder

Dr. Panagiotis Kastritis, born in Athens in 1984, completed his undergraduate studies in Biology at the University of Athens. He continued his academic journey in Molecular Biophysics under the mentorship of Professor Stavros Hamodrakas, deepening his knowledge in this specialized domain. In 2008, he received European funding to pursue advanced studies in the Netherlands, marking a pivotal moment in his academic and research trajectory. He attained his Ph.D. in Chemistry in 2012 at the University of Utrecht, Netherlands, under the guidance of Professor Alexandre Bonvin, solidifying his position as a scholar in this field.

From 2013 to 2018, he conducted postdoctoral research at the European Molecular Biology Laboratory (EMBL) in Heidelberg, Germany. During this period, he worked in the research groups of Dr. Martin Beck and Dr. AnneClaude Gavin, where he furthered his contributions to the scientific community. In 2018, Dr. Kastritis initiated his own research group at the HALOmem research Center and concurrently assumed the role of Junior Professor specializing in “Cryo-electron Microscopy of Membrane Protein Complexes” at the Martin Luther University Halle-Wittenberg in Halle, Germany, a testament to his academic achievements and leadership.

From March 2023 to July 2023, Dr. Kastritis served as an Associate Researcher at the Institute of Chemical Biology, National Hellenic Research Foundation (ICB/NHRF) in Athens, Greece, further contributing to his extensive research career. Moreover, he holds the esteemed ERA Chair for the “Hot4cryo” project, signifying his critical role in shaping research initiatives. Dr. Kastritis has been actively involved in coordinating and participating in Dutch, German, and European projects.
Since August 2024, Dr. Kastritis has been appointed as a Professor for "Integrative Structural Biochemistry" at the Institute for Biochemistry & Biotechnology, University of Halle-Wittenberg (MLU) in Halle, Germany. Simultaneously, the position of Senior Researcher B at the ICB/NHRF has been proposed to him since July 2024.

His research, which centers on the structural and functional characterization of protein interactions and macromolecular complexes, has been widely recognized, as reflected in over 7500 citations in high-impact journals, including the renowned journal Nature.

Dr. Photis Kyrilis

Dr. Fotis Kyrilis holds the position of Junior Group Leader in the ERA Chair project, “hot4cryo”, dedicated to establishing cryo-electron microscopy (cryoEM) at the Institute of Chemical Biology (ICB), National Hellenic Research Foundation (NHRF) in Athens, Greece.

Dr. Kyrilis holds a bachelor’s degree in biology (BSc) and a Master’s degree in Molecular Medicine (MSc) from the National Kapodistrian University of Athens. Subsequently, he furthered his academic career by completing a Ph.D. in Biochemistry and cryoEM at Martin LutherUniversity, Halle-Wittenberg, Germany. Dr. Kyrilis’ primary research focus revolves around the elucidation of biomolecular complexes and their functional attributesthrough rigorous experimental techniques.

His methodology encompasses traditional molecular biology and biochemistry, complemented by cutting-edge cryoEM and data science. Notably, Dr. Kyrilis is recognized for pioneering advancements invitrification, a Nobel Prize-winning method introduced by Dubochet in 2017, extending its application beyondbiomacromolecules to enable high-resolution cryoEM visualization of soft matter.

At its core, his research agenda centers on unraveling the structural and functional aspects of biological macromolecules, particularly within intricate environmental contexts. He is dedicated to probing the endogenous state and inner workings ofthese biomolecules. In his capacity as an ERA Chair Junior Group Leader, Dr. Kyrilis is committed to translating his research vision into practical projects within the NHRF, establishing a fundamental platform for comprehensive cryoEM investigations across a widespectrum of materials and scientific inquiries.

Dr.-Ing. Naya Koralli

Dr.-Ing. Panagiota Koralli is a distinguished academic with a bachelor’s degree in mechanical engineering from the National Technical University of Athens (2010) and a subsequent Ph.D. in Materials Science, jointly awarded by the same university and the NHRF in 2016. From 2018 to 2020, she served as a postdoctoral research fellow at the German Cancer Research Center (DKFZ) under the Helmholtz European partnering program, which aimed to establish the Athens Comprehensive Cancer Center (ACCC) through collaboration between DKFZ and NHRF. Her academic interests primarily revolve around physical chemistry and nanomaterial development, including thin films, nanocomposites, and nanoparticles. Dr. Koralli is adept at characterizing these materials using an array of techniques, such as XRD, EM, SEM/EDS, AFM, UV-Vis, DLS, profilometry, and Raman spectroscopy.

Dr. Koralli has actively contributed to international research projects as a young researcher and received financial support from the Empeirikeion Foundation during her Ph.D. She continued her research as a postdoctoral scholar, focusing on Material Science, Nanotechnology, and Applications at NHRF Institutes.

Her scholarly output comprises 21 publications in reputable journals, three book chapters, and two conference proceedings. Dr. Koralli has also actively participated in 27 international and 17 national conferences, solidifying her reputation as an accomplished academic and researcher in her field.

Dr. Despoina Angelaki

Dr. Angelaki, a dedicated post-doctoral researcher, currently serves at the renowned Kastritis Laboratory for Biomolecular Research. In this role, she assumes responsibility for the operation of both the cryogenic Transmission Electron Microscope (cryoTEM) and the Focused Ion Beam Scanning Electron Microscope (FIB-SEM) within the laboratory’s infrastructure.

Her academic career reflects her commitment to scientific exploration and technological advancements within the field of biomolecular research. Dr. Angelaki earned her Ph.D. in Physics from the University of Crete. Her doctoral research was conducted in the field of biomedical engineering at the Foundation for Research and Technology, where she received invaluable support from the State Scholarships Foundation, indicative of her scholarly prowess.

Further enriching her academic portfolio, Dr. Angelaki obtained a Master’s degree in Medical Physics from the University of Paris – XI, Orsay (commonly referred to as Paris-Sud University). Notably, her academic pursuits were reinforced by the prestigious Eugenides Foundation Scholarship. She also holds a Diploma in Applied Physics, awarded by the National Technical University of Athens.

Greg Kafetzopoulos

Greg Kafetzopoulos holds a Bachelor’s degree in Biology from the National and Kapodistrian University of Athens and a Master’s degree in Molecular and Cellular Life Sciences from Utrecht University.

His research experience spans various domains of biology. He excelled in Cryo-Electron microscopy and Computational Structural Biology projects, showcasing his adeptness in advanced imaging techniques and computational methods. His enthusiasm for cell biology is evident in his writing assignments, and his Bachelor Research project explored Opioid Receptor signaling, demonstrating his versatility.

Currently, as a scientific associate and a dedicated PhD candidate within the “hot4cryo” project, Greg specializes in aging and cancer research, focusing on molecular and cellular-level interactions within protein networks. He employs a multidisciplinary approach, seamlessly integrating in vivo and in silico techniques to address complex biological issues.

Andreas Zamanos

Andreas Zamanos attained his Bachelor Degree in Biology from National and Kapodistrian University of Athens (EKPA) in 2018 and his Master’s Degree in Data Science and Information Technologies from EKPA’s Department of Information Technology and Telecommunications in 2021.

His professional journey includes a stint as a scientific collaborator at both EKPA and the Athena Research Center during the period of 2022-2023. In this role, he made significant contributions to the field of structural biology, particularly through the application of machine learning techniques.

Andreas’ extensive expertise and research interests encompass a wide array of fields, including machine learning, structural biology, biophysics, computer vision, graph theory, and computational geometry. This multidisciplinary knowledge allows him to tackle complex interdisciplinary challenges with a unique perspective.

One of Andreas’ key strengths lies in his ability to bridge the realms of biology and data science. He leverages his profound understanding of both domains to drive cutting-edge research aimed at enhancing our comprehension of protein structures and their functional roles.

Olga Sinanidi

Olga Sinanidi holds a postgraduate degree in English Language and Literature from Aristotle University of Thessaloniki, with a keen emphasis on translation. Her academic journey and professional experiences have equipped her with a diverse skill set that combines both hard and soft skills.

During her academic career, Olga actively engaged in translation projects that underscored her dedication to making knowledge more accessible. She was involved in translating content for the Momus Museum in Thessaloniki for the 8th Biennale, contributing to the international art community by bridging language gaps.

Furthermore, she played a pivotal role in the “Translation Project”, a website dedicated to translating opinion articles from English to Greek during the pandemic. Her work here not only facilitated access to diverse perspectives but also exemplified her unwavering commitment to inclusive communication.
During her Erasmus+ Internship in Vemork, Norway she worked as a translator, utilizing machine translation tools to translate museum content from Norwegian to Greek. Simultaneously, she designed a short accessibility guide for the museum, which is included in the museum mediation plan. Her efforts reflect her dedication to making information accessible to all.

Olga firmly believes that the effective dissemination of scientific advancements requires not only technical expertise but also the ability to present information in an accessible and relatable manner to a wider audience. She is committed to make science and technology more inclusive, ensuring that the benefits of Hot4Cryo’s work are understood and appreciated by all.

 

 

 

Collaborations

International

  • Kastritis Laboratory for Biomolecular Research in the Martin-Luther University of Halle Wittenberg, Halle, Germany.

 

 

Funding

  • 2023–2028 | Athens “ERA Chair Holder to establish the electron cryo-microscopy analysis of cellular and artificial nanomachines”
    Funder: European Union – Horizon Europe | Amount: 2,499,921.00 EUR

 

 

Publications

ORCID: https://orcid.org/0000-0002-1463-8422
Google Scholar: https://scholar.google.gr/citations?user=_O49sZcAAAAJ&hl=en

 

2024

 

  • Kyrilis FL, Low JKK, Mackay JP, Kastritis PL. Structural biology in cellulo: Minding the gap between conceptualization and realization. Curr Opin Struct Biol. 2024 Aug;87:102843. doi: 10.1016/j.sbi.2024.102843. Epub 2024 May 23.
  • Schmidt L, Tüting C, Kyrilis FL, Hamdi F, Semchonok DA, Hause G, Meister A, Ihling C, Stubbs MT, Sinz A, Kastritis PL. Delineating organizational principles of the endogenous L-A virus by cryo-EM and computational analysis of native cell extracts. Commun Biol. 2024 May 10;7(1):557. doi: 10.1038/s42003-024-06204-7. SJR: 5.9. Citations: 3.
  • Otrin N, Otrin L, Bednarz C, Träger TK, Hamdi F, Kastritis PL, Ivanov I, Sundmacher K.
    Protein-Rich Rafts in Hybrid Polymer/Lipid Giant Unilamellar Vesicles. Biomacromolecules. 2024 Feb 12;25(2):778-791. doi: 10.1021/acs.biomac.3c00972. SJR: 6.2. Citations: 0.
  • Schmitt FJ, Mehmood AS, Tüting C, Phan HT, Reisdorf J, Rieder F, Ghane Golmohamadi F, Verma R, Kastritis PL, Laufer J. Effect of Molecular Dynamics and Internal Water Contact on the Photophysical Properties of Red pH-Sensitive Proteins. Biochemistry. 2024 Jan 2;63(1):82-93. doi: 10.1021/acs.biochem.3c00444. SJR: 2.9. Citations: 0.

 

2023

 

  • Semchonok DA, Kyrilis FL, Hamdi F, Kastritis PL*. Cryo-EM of a heterogeneous biochemical fraction elucidates multiple protein complexes from a multicellular thermophilic eukaryote. J Struct Biol X. 2023 Aug 9;8:100094.
    doi: 10.1016/j.yjsbx.2023.100094. SJR: 3.0. Citations: 0.
  • Hassan AH, Ihling C, Iacobucci C, Kastritis PL, Sinz A, Kruse T. The structural principles underlying molybdenum insertase complex assembly. Protein Sci. 2023 Sep;32(9):e4753.
    doi: 10.1002/pro.4753. SJR: 8.0. Citations: 1.
  • Tüting C, Schmidt L, Skalidis I, Sinz A, Kastritis PL*. Enabling cryo-EM density interpretation from yeast native cell extracts by proteomics data and AlphaFold structures. Proteomics. 2023 Sep;23(17):e2200096.
    doi: 10.1002/pmic.202200096. SJR: 3.4. Citations: 2.
  • Opatíková M, Semchonok DA, Kopečný D, Ilík P, Pospíšil P, Ilíková I, Roudnický P, Zeljković SĆ, Tarkowski P, Kyrilis FL, Hamdi F, Kastritis PL, Kouřil R. Cryo-EM structure of a plant photosystem II supercomplex with light-harvesting protein Lhcb8 and α-tocopherol. Nat Plants. 2023 Aug;9(8):1359-1369.
    doi: 10.1038/s41477-023-01483-0. SJR: 18.0. Citations: 4.
  • Zahn T, Zhu Z, Ritoff N, Krapf J, Junker A, Altmann T, Schmutzer T, Tüting C, Kastritis PL, Babben S, Quint M, Pillen K, Maurer A. Novel exotic alleles of EARLY FLOWERING 3 determine plant development in barley. J Exp Bot. 2023 Jun 27;74(12):3630-3650.
    doi: 10.1093/jxb/erad127. SJR: 6.9. Citations: 6.
  • Zhou Y, Syed JH, Semchonok DA, Wright E, Kyrilis FL, Hamdi F, Kastritis PL, Bruce BD, Reynolds TB. Solubilization, purification, and characterization of the hexameric form of phosphatidylserine synthase from Candida albicans. J Biol Chem. 2023 Jun;299(6):104756.
    doi: 10.1016/j.jbc.2023.104756. SJR: 4.8. Citations: 1.
  • Di Ianni A, Tüting C, Kipping M, Ihling CH, Köppen J, Iacobucci C, Arlt C, Kastritis PL*, Sinz A. Structural assessment of the full-length wild-type tumor suppressor protein p53 by mass spectrometry-guided computational modeling. Sci Rep. 2023 May 25;13(1):8497.
    doi: 10.1038/s41598-023-35437-5. SJR: 4.6. Citations: 3.
  • Skalidis I, Kyrilis FL, Tüting C, Hamdi F, Träger TK, Belapure J, Hause G, Fratini M, O'Reilly FJ, Heilmann I, Rappsilber J, Kastritis PL*. Structural analysis of an endogenous 4-megadalton succinyl-CoA-generating metabolon. Commun Biol. 2023 May 22;6(1):552.
    doi: 10.1038/s42003-023-04885-0. SJR: 5.9. Citations: 2.
  • Träger T, Kastritis PL*. Cracking the code of cellular protein-protein interactions: Alphafold and whole-cell crosslinking to the rescue. Mol Syst Biol. 2023 Apr 12;19(4):e11587.
    doi: 10.15252/msb.202311587. SJR: 9.9. Citations: 2.
  • Demisli S, Galani E, Goulielmaki M, Kyrilis FL, Ilić T, Hamdi F, Crevar M, Kastritis PL, Pletsa V, Nallet F, Savić S, Xenakis A, Papadimitriou V. Encapsulation of cannabidiol in oil-in-water nanoemulsions and nanoemulsion-filled hydrogels: A structure and biological assessment study. J Colloid Interface Sci. 2023 Mar 15;634:300-313.
    doi: 10.1016/j.jcis.2022.12.036. SJR: 9.9. Citations: 13.
  • Belapure J, Sorokina M, Kastritis PL*. IRAA: A statistical tool for investigating a protein-protein interaction interface from multiple structures. Protein Sci. 2023 Jan;32(1):e4523.
    doi: 10.1002/pro.4523. SJR: 8.0. Citations: 0.

 

2022

 

  • Janson K, Kyrilis FL, Tüting C, Alfes M, Das M, Träger TK, Schmidt C, Hamdi F, Vargas C, Keller S, Meister A*, Kastritis PL*. Cryo-Electron Microscopy Snapshots of Eukaryotic Membrane Proteins in Native Lipid-Bilayer Nanodiscs. Biomacromolecules. 2022 Dec 12;23(12):5084-5094.
    doi: 10.1021/acs.biomac.2c00935. SJR: 6.2. Citations: 5.
  • Tafur L, Hinterndorfer K, Gabus C, Lamanna C, Bergmann A, Sadian Y, Hamdi F, Kyrilis FL, Kastritis PL, Loewith R. Cryo-EM structure of the SEA complex. Nature. 2022 Nov;611(7935):399-404.
    doi: 10.1038/s41586-022-05370-0. SJR: 64.8. Citations: 15.
  • Kastritis PL*. An integrative approach to probing transient protein structures in cell extracts. Genetic Engineering & Biotechnology News. 2022 Sep;42(9):68-70.
    doi: 10.1089/gen.42.09.22. SJR: n/a. Citations: 0.
  • Wurl A, Ott M, Plato E, Meister A, Hamdi F, Kastritis PL, Blume A, Ferreira TM. Filling the Gap with Long n-Alkanes: Incorporation of C20 and C30 into Phospholipid Membranes. Langmuir. 2022 Jul 19;38(28):8595-8606.
    doi: 10.1021/acs.langmuir.2c00872. SJR: 3.9. Citations: 3.
  • Sorokina M, Belapure J, Tüting C, Paschke R, Papasotiriou I, Rodrigues JPGLM, Kastritis PL*. An Electrostatically-steered Conformational Selection Mechanism Promotes SARS-CoV-2 Spike Protein Variation. J Mol Biol. 2022 Jul 15;434(13):167637.
    doi: 10.1016/j.jmb.2022.167637. SJR: 5.6. Citations: 2.
  • Marušič N, Otrin L, Rauchhaus J, Zhao Z, Kyrilis FL, Hamdi F, Kastritis PL, Dimova R, Ivanov I, Sundmacher K. Increased efficiency of charge-mediated fusion in polymer/lipid hybrid membranes. Proc Natl Acad Sci U S A. 2022 May 17;119(20):e2122468119.
    doi: 10.1073/pnas.2122468119. SJR: 11.1. Citations: 19.
  • Piersimoni L, Kastritis PL, Arlt C, Sinz A. Cross-Linking Mass Spectrometry for Investigating Protein Conformations and Protein-Protein Interactions─A Method for All Seasons. Chem Rev. 2022 Apr 27;122(8):7500-7531.
    doi: 10.1021/acs.chemrev.1c00786. SJR: 62.1. Citations: 125.
  • Skalidis I, Kyrilis FL, Tüting C, Hamdi F, Chojnowski G, Kastritis PL*. Cryo-EM and artificial intelligence visualize endogenous protein community members. Structure. 2022 Apr 7;30(4):575-589.e6.
    doi: 10.1016/j.str.2022.01.001. SJR: 5.7. Citations: 28.
  • Li F, Harvey RD, Modicano P, Hamdi F, Kyrilis F, Müller S, Gruhle K, Kastritis PL, Drescher S, Dailey LA. Investigating bolalipids as solubilizing agents for poorly soluble drugs: Effects of alkyl chain length on solubilization and cytotoxicity. Colloids Surf B Biointerfaces. 2022 Apr;212:112369.
    doi: 10.1016/j.colsurfb.2022.112369. SJR: 5.8. Citations: 4.

 

2021

 

  • Semchonok DA, Mondal J, Cooper CJ, Schlum K, Li M, Amin M, Sorzano COS, Ramírez-Aportela E, Kastritis PL, Boekema EJ, Guskov A, Bruce BD. Cryo-EM structure of a tetrameric photosystem I from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium. Plant Commun. 2021 Oct 13;3(1):100248.
    doi: 10.1016/j.xplc.2021.100248. SJR: 10.5. Citations: 12.
  • Tüting C, Kyrilis FL, Müller J, Sorokina M, Skalidis I, Hamdi F, Sadian Y, Kastritis PL*. Cryo-EM snapshots of a native lysate provide structural insights into a metabolon-embedded transacetylase reaction. Nat Commun. 2021 Nov 26;12(1):6933.
    doi: 10.1038/s41467-021-27287-4. SJR: 16.6. Citations: 28.
  • Janson K, Zierath J, Kyrilis FL, Semchonok DA, Hamdi F, Skalidis I, Kopf AH, Das M, Kolar C, Rasche M, Vargas C, Keller S, Kastritis PL*, Meister A*. Solubilization of artificial mitochondrial membranes by amphiphilic copolymers of different charge. Biochim Biophys Acta Biomembr. 2021 Aug 10;1863(12):183725.
    doi: 10.1016/j.bbamem.2021.183725. SJR: 3.4. Citations: 11.
  • Otrin L, Witkowska A, Marušič N, Zhao Z, Lira RB, Kyrilis FL, Hamdi F, Ivanov I, Lipowsky R, Kastritis PL, Dimova R, Sundmacher K, Jahn R, Vidaković-Koch T. En route to dynamic life processes by SNARE-mediated fusion of polymer and hybrid membranes. Nat Commun. 2021 Aug 17;12(1):4972.
    doi: 10.1038/s41467-021-25294-z. SJR: 16.6. Citations: 24.
  • Li Y, Kuhn M, Zukowska-Kasprzyk J, Hennrich ML, Kastritis PL, O'Reilly FJ, Phapale P, Beck M, Gavin AC, Bork P. Coupling proteomics and metabolomics for the unsupervised identification of protein-metabolite interactions in Chaetomium thermophilum. PLoS One. 2021 Jul 9;16(7):e0254429.
    doi: 10.1371/journal.pone.0254429. SJR: 3.7. Citations: 8.
  • Drikos I, Boutou E, Kastritis PL, Vorgias CE. BRCA1-BRCT mutations alter the subcellular localization of BRCA1 in vitro. Anticancer Res. 2021 Jun;41(6):2953-2962.
    doi: 10.21873/anticanres.15077. SJR: 2.0. Citations: 5.
  • Hoffmann M, Haselberger D, Hofmann T, Müller L, Janson K, Meister A, Das M, Vargas C, Keller S, Kastritis PL, Schmidt C, Hinderberger D. Nanoscale Model System for the Human Myelin Sheath. Biomacromolecules. 2021 Sep 13;22(9):3901-3912.
    doi: 10.1021/acs.biomac.1c00714. SJR: 6.2. Citations: 6.
  • Rehkamp A, Tänzler D, Tüting C, Kastritis PL, Iacobucci C, Ihling CH, Kipping M, Koch KW, Sinz A. First 3D-Structural Data of Full-Length Guanylyl Cyclase 1 in Rod-Outer-Segment Preparations of Bovine Retina by Cross-Linking/Mass Spectrometry. J Mol Biol. 2021 May 14;433(10):166947.
    doi: 10.1016/j.jmb.2021.166947. SJR: 5.6. Citations: 7.
  • Kyrilis FL, Belapure J, Kastritis PL*. Detecting Protein Communities in Native Cell Extracts by Machine Learning: A Structural Biologist's Perspective. Front Mol Biosci. 2021 Apr 15;8:660542.
    doi: 10.3389/fmolb.2021.660542. SJR: 5.0. Citations: 12.
  • Kyrilis FL, Semchonok DA, Skalidis I, Tüting C, Hamdi F, O'Reilly FJ, Rappsilber J, Kastritis PL*. Integrative structure of a 10-megadalton eukaryotic pyruvate dehydrogenase complex from native cell extracts. Cell Rep. 2021 Feb 9;34(6):108727.
    doi: 10.1016/j.celrep.2021.108727. SJR: 8.8. Citations: 41.
  • Hofmann T, Barth M, Meister A, Kastritis PL, Schmidt C. Thin‐Layer chromatography and coomassie staining of phospholipids for fast and simple lipidomics sample preparation.
    Anal. Sens. 2021 accepted author manuscript.
    doi: 10.1002/anse.202100029. SJR: n/a. Citations: 5.
  • Sorzano COS, Semchonok D, Lin SC, Lo YC, Vilas JL, Jiménez-Moreno A, Gragera M, Vacca S, Maluenda D, Martínez M, Ramírez-Aportela E, Melero R, Cuervo A, Conesa JJ, Conesa P, Losana P, Caño LD, de la Morena JJ, Fonseca YC, Sánchez-García R, Strelak D, Fernández-Giménez E, de Isidro F, Herreros D, Kastritis PL, Marabini R, Bruce BD, Carazo JM. Algorithmic robustness to preferred orientations in single particle analysis by CryoEM. J Struct Biol. 2021 Mar;213(1):107695.
    doi: 10.1016/j.jsb.2020.107695. SJR: 3.0. Citations: 20.

 

2020

 

  • Rodrigues JPGLM, Barrera-Vilarmau S, M C Teixeira J, Sorokina M, Seckel E, Kastritis PL, Levitt M. Insights on cross-species transmission of SARS-CoV-2 from structural modeling. PLoS Comput Biol. 2020 Dec 3;16(12):e1008449.
    doi: 10.1371/journal.pcbi.1008449. SJR: 4.3. Citations: 64.
  • Skalidis I, Tüting C, Kastritis PL*. Unstructured regions of large enzymatic complexes control the availability of metabolites with signaling functions. Cell Commun Signal. 2020 Aug 26;18(1):136.
    doi: 10.1186/s12964-020-00631-9. SJR: 8.4. Citations: 15.
  • Sorokina M, M C Teixeira J, Barrera-Vilarmau S, Paschke R, Papasotiriou I, Rodrigues JPGLM, Kastritis PL*. Structural models of human ACE2 variants with SARS-CoV-2 Spike protein for structure-based drug design. Sci Data. 2020 Sep 16;7(1):309.
    doi: 10.1038/s41597-020-00652-6. SJR: 9.8. Citations: 25.
  • Zhou Y#, Kastritis PL*#, Dougherty SE, Bouvette J, Hsu AL, Burbaum L, Mosalaganti S, Pfeffer S, Hagen WJH, Förster F, Borgnia MJ, Vogel C, Beck M, Bartesaghi A*, Silva GM*. Structural impact of K63 ubiquitin on yeast translocating ribosomes under oxidative stress. Proc Natl Acad Sci U S A. 2020 Sep 8;117(36):22157-22166.
    doi: 10.1073/pnas.2005301117. SJR: 11.1. Citations: 27.
  • Modicano P, Neumann PR, Schüller M, Holthof J, Kyrilis FL, Hamdi F, Kastritis PL, Mäder K, Ann Dailey L. Enhanced optical imaging properties of lipid nanocapsules as vehicles for fluorescent conjugated polymers. Eur J Pharm Biopharm. 2020 Sep;154:297-308.
    doi: 10.1016/j.ejpb.2020.07.017. SJR: 4.9. Citations: 10.
  • Tüting C#, Iacobucci C#, Ihling CH, Kastritis PL*, Sinz A*. Structural analysis of 70S ribosomes by cross-linking/mass spectrometry reveals conformational plasticity. Sci Rep. 2020 Jul 28;10(1):12618.
    doi: 10.1038/s41598-020-69313-3. SJR: 4.6. Citations: 31.
  • Marušič N, Otrin L, Zhao Z, Lira RB, Kyrilis FL, Hamdi F, Kastritis PL, Vidaković-Koch T, Ivanov I, Sundmacher K, Dimova R. Constructing artificial respiratory chain in polymer compartments: Insights into the interplay between bo 3 oxidase and the membrane. Proc Natl Acad Sci U S A. 2020 Jun 30;117(26):15006-15017.
    doi: 10.1073/pnas.1919306117. SJR: 11.1. Citations: 47.
  • Niemeyer M, Moreno Castillo E, Ihling CH, Iacobucci C, Wilde V, Hellmuth A, Hoehenwarter W, Samodelov SL, Zurbriggen MD, Kastritis PL, Sinz A, Calderón Villalobos LIA. Flexibility of intrinsically disordered degrons in AUX/IAA proteins reinforces auxin co-receptor assemblies. Nat Commun. 2020 May 8;11(1):2277.
    doi: 10.1038/s41467-020-16147-2. SJR: 16.6. Citations: 38.

 

2019

 

  • Kyrilis FL, Meister A, Kastritis PL*. Integrative biology of native cell extracts: a new era for structural characterization of life processes. Biol Chem. 2019 Jun 26;400(7):831-846.
    doi: 10.1515/hsz-2018-0445. SJR: 3.7. Citations: 27.
  • Hampoelz B, Andres-Pons A, Kastritis PL, Beck M. Structure and Assembly of the Nuclear Pore Complex. Annu Rev Biophys. 2019 May 6;48:515-536.
    doi: 10.1146/annurev-biophys-052118-115308. SJR: 12.4. Citations: 209.
  • Hamdi F, Tüting C, Semchonok DA, Visscher KM, Kyrilis FL, Meister A, Skalidis I, Schmidt L, Parthier C, Stubbs MT, Kastritis PL*. 2.7 Å cryo-EM structure of vitrified M. musculus H-chain apoferritin from a compact 200 keV cryo-microscope. PLoS One. 2020 May 6;15(5):e0232540.
    doi: 10.1371/journal.pone.0232540. SJR: 3.7. Citations: 18.

 

2018

 

  • Kastritis PL#, Gavin AC. Enzymatic complexes across scales. Essays Biochem. 2018 Oct 26;62(4):501-514.
    doi: 10.1042/EBC20180008. SJR: 6.4. Citations: 44.
  • Bonvin AMJJ, Karaca E, Kastritis PL, Rodrigues JPGLM. Defining distance restraints in HADDOCK. Nat Protoc. 2018 Jul;13(7):1503.
    doi: 10.1038/s41596-018-0017-6. SJR: 14.8. Citations: 21.

 

2017

 

  • Kastritis PL#, O'Reilly FJ, Bock T, Li Y, Rogon MZ, Buczak K, Romanov N, Betts MJ, Bui KH, Hagen WJ, Hennrich ML, Mackmull MT, Rappsilber J, Russell RB, Bork P, Beck M, Gavin AC. Capturing protein communities by structural proteomics in a thermophilic eukaryote. Mol Syst Biol. 2017 Jul 25;13(7):936.
    doi: 10.15252/msb.20167412. SJR: 9.9. Citations: 111.
  • Ichikawa M, Liu D, Kastritis PL, Basu K, Hsu TC, Yang S, Bui KH. Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins. Nat Commun. 2017 May 2;8:15035.
    doi: 10.1038/ncomms15035. SJR: 16.6. Citations: 108.
  • Vangone A, Rodrigues JP, Xue LC, van Zundert GC, Geng C, Kurkcuoglu Z, Nellen M, Narasimhan S, Karaca E, van Dijk M, Melquiond AS, Visscher KM, Trellet M, Kastritis PL, Bonvin AM. Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1. Proteins. 2017 Mar;85(3):417-423.
    doi: 10.1002/prot.25198. SJR: 2.9. Citations: 54.

 

2016

 

  • Xue LC, Rodrigues JP, Kastritis PL, Bonvin AM, Vangone A. PRODIGY: a web server for predicting the binding affinity of protein-protein complexes. Bioinformatics. 2016 Dec 1;32(23):3676-3678.
    d doi: 10.1093/bioinformatics/btw514. SJR: 5.8. Citations: 887.
  • Ori A, Iskar M, Buczak K, Kastritis PL, Parca L, Andrés-Pons A, Singer S, Bork P, Beck M. Spatiotemporal variation of mammalian protein complex stoichiometries. Genome Biol. 2016 Mar 14;17:47.
    doi: 10.1186/s13059-016-0912-5. SJR: 12.3. Citations: 105.
  • Lensink MF, Velankar S, Kryshtafovych A, Huang SY, Schneidman-Duhovny D, Sali A, Segura J, Fernandez-Fuentes N, Viswanath S, Elber R, Grudinin S, Popov P, Neveu E, Lee H, Baek M, Park S, Heo L, Rie Lee G, Seok C, Qin S, Zhou HX, Ritchie DW, Maigret B, Devignes MD, Ghoorah A, Torchala M, Chaleil RA, Bates PA, Ben-Zeev E, Eisenstein M, Negi SS, Weng Z, Vreven T, Pierce BG, Borrman TM, Yu J, Ochsenbein F, Guerois R, Vangone A, Rodrigues JP, van Zundert G, Nellen M, Xue L, Karaca E, Melquiond AS, Visscher K, Kastritis PL, Bonvin AM, Xu X, Qiu L, Yan C, Li J, Ma Z, Cheng J, Zou X, Shen Y, Peterson LX, Kim HR, Roy A, Han X, Esquivel-Rodriguez J, Kihara D, Yu X, Bruce NJ, Fuller JC, Wade RC, Anishchenko I, Kundrotas PJ, Vakser IA, Imai K, Yamada K, Oda T, Nakamura T, Tomii K, Pallara C, Romero-Durana M, Jiménez-García B, Moal IH, Férnandez-Recio J, Joung JY, Kim JY, Joo K, Lee J, Kozakov D, Vajda S, Mottarella S, Hall DR, Beglov D, Mamonov A, Xia B, Bohnuud T, Del Carpio CA, Ichiishi E, Marze N, Kuroda D, Roy Burman SS, Gray JJ, Chermak E, Cavallo L, Oliva R, Tovchigrechko A, Wodak SJ. Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment. Proteins. 2016 Sep;84 Suppl 1(Suppl Suppl 1):323-48.
    oi: 10.1002/prot.25007. SJR: 2.9. Citations: 164.
  • Spiliotopoulos D, Kastritis PL, Melquiond AS, Bonvin AM, Musco G, Rocchia W, Spitaleri A. dMM-PBSA: A New HADDOCK Scoring Function for Protein-Peptide Docking. Front Mol Biosci. 2016 Aug 31;3:46.
    doi: 10.3389/fmolb.2016.00046. SJR: 5.0. Citations: 69.
  • Krüger M, Kalbacher H, Kastritis PL, Bischof J, Barth H, Henne-Bruns D, Vorgias C, Sarno S, Pinna LA, Knippschild U. New potential peptide therapeutics perturbing CK1δ/α-tubulin interaction. Cancer Lett. 2016 Jun 1;375(2):375-383.
    doi: 10.1016/j.canlet.2016.03.021. SJR: 9.7. Citations: 13.
  • van Zundert GCP, Rodrigues JPGLM, Trellet M, Schmitz C, Kastritis PL, Karaca E, Melquiond ASJ, van Dijk M, de Vries SJ, Bonvin AMJJ. The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes. J Mol Biol. 2016 Feb 22;428(4):720-725.
    doi: 10.1016/j.jmb.2015.09.014. SJR: 5.6. Citations: 2314.
  • Silva-Martin N, Daudén MI, Glatt S, Hoffmann NA, Kastritis PL, Bork P, Beck M, Müller CW. The Combination of X-Ray Crystallography and Cryo-Electron Microscopy Provides Insight into the Overall Architecture of the Dodecameric Rvb1/Rvb2 Complex. PLoS One. 2016 Jan 8;11(1):e0146457.
    doi: 10.1371/journal.pone.0146457. SJR: 3.7. Citations: 20.

 

2015-2007

 

2015

  • von Appen A, Kosinski J, Sparks L, Ori A, DiGuilio AL, Vollmer B, Mackmull MT, Banterle N, Parca L, Kastritis PL, Buczak K, Mosalaganti S, Hagen W, Andres-Pons A, Lemke EA, Bork P, Antonin W, Glavy JS, Bui KH, Beck M. In situ structural analysis of the human nuclear pore complex. Nature. 2015 Oct 1;526(7571):140-143.
    doi: 10.1038/nature15381. SJR: 64.8. Citations: 396.
  • Vreven T, Moal IH, Vangone A, Pierce BG, Kastritis PL, Torchala M, Chaleil R, Jiménez-García B, Bates PA, Fernandez-Recio J, Bonvin AM, Weng Z. Updates to the Integrated Protein-Protein Interaction Benchmarks: Docking Benchmark Version 5 and Affinity Benchmark Version 2. J Mol Biol. 2015 Sep 25;427(19):3031-41.
    doi: 10.1016/j.jmb.2015.07.016. SJR: 5.6. Citations: 422.
  • Visscher KM#, Kastritis PL#, Bonvin AM. Non-interacting surface solvation and dynamics in protein-protein interactions. Proteins. 2015 Mar;83(3):445-58.
    doi: 10.1002/prot.24741. SJR: 2.9. Citations: 25.
  • Gaik M, Flemming D, von Appen A, Kastritis PL, Mücke N, Fischer J, Stelter P, Ori A, Bui KH, Baßler J, Barbar E, Beck M, Hurt E. Structural basis for assembly and function of the Nup82 complex in the nuclear pore scaffold. J Cell Biol. 2015 Feb 2;208(3):283-97.
    doi: 10.1083/jcb.201411003. SJR: 7.8. Citations: 69.

 

2014

  • Bock T, Chen WH, Ori A, Malik N, Silva-Martin N, Huerta-Cepas J, Powell ST, Kastritis PL, Smyshlyaev G, Vonkova I, Kirkpatrick J, Doerks T, Nesme L, Baßler J, Kos M, Hurt E, Carlomagno T, Gavin AC, Barabas O, Müller CW, van Noort V, Beck M, Bork P. An integrated approach for genome annotation of the eukaryotic thermophile Chaetomium thermophilum. Nucleic Acids Res. 2014 Dec 16;42(22):13525-33.
    doi: 10.1093/nar/gku1147. SJR: 14.9. Citations: 65.
  • Kastritis PL#, Rodrigues JP, Folkers GE, Boelens R, Bonvin AM. Proteins feel more than they see: fine-tuning of binding affinity by properties of the non-interacting surface. J Mol Biol. 2014 Jul 15;426(14):2632-52.
    doi: 10.1016/j.jmb.2014.04.017. SJR: 5.6. Citations: 128.
  • Lensink MF, Moal IH, Bates PA, Kastritis PL, Melquiond AS, Karaca E, Schmitz C, van Dijk M, Bonvin AM, Eisenstein M, Jiménez-García B, Grosdidier S, Solernou A, Pérez-Cano L, Pallara C, Fernández-Recio J, Xu J, Muthu P, Praneeth Kilambi K, Gray JJ, Grudinin S, Derevyanko G, Mitchell JC, Wieting J, Kanamori E, Tsuchiya Y, Murakami Y, Sarmiento J, Standley DM, Shirota M, Kinoshita K, Nakamura H, Chavent M, Ritchie DW, Park H, Ko J, Lee H, Seok C, Shen Y, Kozakov D, Vajda S, Kundrotas PJ, Vakser IA, Pierce BG, Hwang H, Vreven T, Weng Z, Buch I, Farkash E, Wolfson HJ, Zacharias M, Qin S, Zhou HX, Huang SY, Zou X, Wojdyla JA, Kleanthous C, Wodak SJ. Blind prediction of interfacial water positions in CAPRI. Proteins. 2014 Apr;82(4):620-32.
    doi: 10.1002/prot.24439. SJR: 2.9. Citations: 61.
  • Kastritis PL#, Rodrigues JP, Bonvin AM. HADDOCK(2P2I): a biophysical model for predicting the binding affinity of protein-protein interaction inhibitors. J Chem Inf Model. 2014 Mar 24;54(3):826-36.
    doi: 10.1021/ci4005332. SJR: 5.6. Citations: 37.

 

2013

  • Rodrigues JP, Melquiond AS, Karaca E, Trellet M, van Dijk M, van Zundert GC, Schmitz C, de Vries SJ, Bordogna A, Bonati L, Kastritis PL, Bonvin AM. Defining the limits of homology modeling in information-driven protein docking. Proteins. 2013 Dec;81(12):2119-28.
    doi: 10.1002/prot.24382. SJR: 2.9. Citations: 75.
  • Kastritis PL#, Bonvin AM. Molecular origins of binding affinity: seeking the Archimedean point. Curr Opin Struct Biol. 2013 Dec;23(6):868-77.
    doi: 10.1016/j.sbi.2013.07.001. SJR: 6.8. Citations: 47.
  • Moretti R, Fleishman SJ, Agius R, Torchala M, Bates PA, Kastritis PL, Rodrigues JP, Trellet M, Bonvin AM, Cui M, Rooman M, Gillis D, Dehouck Y, Moal I, Romero-Durana M, Perez-Cano L, Pallara C, Jimenez B, Fernandez-Recio J, Flores S, Pacella M, Praneeth Kilambi K, Gray JJ, Popov P, Grudinin S, Esquivel-Rodríguez J, Kihara D, Zhao N, Korkin D, Zhu X, Demerdash ON, Mitchell JC, Kanamori E, Tsuchiya Y, Nakamura H, Lee H, Park H, Seok C, Sarmiento J, Liang S, Teraguchi S, Standley DM, Shimoyama H, Terashi G, Takeda-Shitaka M, Iwadate M, Umeyama H, Beglov D, Hall DR, Kozakov D, Vajda S, Pierce BG, Hwang H, Vreven T, Weng Z, Huang Y, Li H, Yang X, Ji X, Liu S, Xiao Y, Zacharias M, Qin S, Zhou HX, Huang SY, Zou X, Velankar S, Janin J, Wodak SJ, Baker D. Community-wide evaluation of methods for predicting the effect of mutations on protein-protein interactions. Proteins. 2013 Nov;81(11):1980-7.
    doi: 10.1002/prot.24356. SJR: 2.9. Citations: 111.
  • van Dijk M, Visscher KM, Kastritis PL, Bonvin AM. Solvated protein-DNA docking using HADDOCK. J Biomol NMR. 2013 May;56(1):51-63.
    doi: 10.1007/s10858-013-9734-x. SJR: 2.7. Citations: 24.
  • Kastritis PL#, Visscher KM, van Dijk AD, Bonvin AM. Solvated protein-protein docking using Kyte-Doolittle-based water preferences. Proteins. 2013 Mar;81(3):510-8.
    doi: 10.1002/prot.24210. SJR: 2.9. Citations: 34.
  • Kastritis PL#, Bonvin AM. On the binding affinity of macromolecular interactions: daring to ask why proteins interact. J R Soc Interface. 2012 Dec 12;10(79):20120835.
    doi: 10.1098/rsif.2012.0835. SJR: 3.9. Citations: 537.
  • Graphical user interface, application  Description automatically generatedBonvin AMJJ, van Dijk M, Karaca E, Kastritis PL, Melquiond ASJ, Schmitz C, de Vries SJ
    HADDOCK.  Encyclopedia of Biophysics, 2013 pp. 943.
    doi: 10.1007/978-3-642-16712-6. SJR: n/a. Citations: 1.

 

2012

  • NMR of Biomolecules: Towards Mechanistic Systems Biology : Bertini, Ivano,  McGreevy, Kathleen S., Parigi, Giacomo: Amazon.de: BücherSchmitz C, Melquiond ASJ, de Vries SJ, Karaca E, van Dijk M, Kastritis PL, Bonvin AMJJ. Protein–Protein Docking with HADDOCK. NMR of biomolecules: towards mechanistic systems biology, 2012 pp. 520 - 535.
    doi: 10.1002/9783527644506.ch32. SJR: n/a. Citations: 9.
  • Antimicrobial Drug Discovery: Emerging Strategies (Advances in Molecular  and Cellular Microbiology, 22): 9781845939434: Medicine & Health Science  Books @ Amazon.comKastritis PL#, Bonvin AM. Predicting and dissecting high-order molecular complexity by information-driven biomolecular docking. Antimicrobial drug discovery: emerging strategies, 2012 pp. 232-246.
    doi: 10.1079/9781845939434.0232. SJR: n/a. Citations: 2.
  • Rodrigues JP, Trellet M, Schmitz C, Kastritis PL, Karaca E, Melquiond AS, Bonvin AM. Clustering biomolecular complexes by residue contacts similarity. Proteins. 2012 Jul;80(7):1810-7.
    doi: 10.1002/prot.24078. SJR: 2.9. Citations: 117.
  • A picture containing application  Description automatically generatedKastritis PL#, van Dijk AD, Bonvin AM. Explicit treatment of water molecules in data-driven protein-protein docking: the solvated HADDOCKing approach. Methods Mol Biol. 2012;819:355-74.
    doi: 10.1007/978-1-61779-465-0_22. SJR: n/a. Citations: 25.
  • Melquiond ASJ, Karaca E, Kastritis PL, Bonvin AMJJ. Next challenges in protein–protein docking: from proteome to interactome and beyond. WIRES Comp Mol Sci. 2012 ;(2):642-651.
    doi: 10.1002/wcms.91. SJR: 11.4. Citations: 33.

 

2011

  • Fleishman SJ, et al. Community-wide assessment of protein-interface modeling suggests improvements to design methodology. J Mol Biol. 2011 Nov 25;414(2):289-302.
    doi: 10.1016/j.jmb.2011.09.031. SJR: 5.6. Citations: 156.
  • Fiamegos YC, Kastritis PL, Exarchou V, Han H, Bonvin AM, Vervoort J, Lewis K, Hamblin MR, Tegos GP.Antimicrobial and efflux pump inhibitory activity of caffeoylquinic acids from Artemisia absinthium against gram-positive pathogenic bacteria. PLoS One. 2011 Apr 4;6(4):e18127.
    doi: 10.1371/journal.pone.0018127. SJR: 3.7. Citations: 204.
  • Kastritis PL#, Moal IH, Hwang H, Weng Z, Bates PA, Bonvin AM, Janin J. A structure-based benchmark for protein-protein binding affinity. Protein Sci. 2011 Mar;20(3):482-91.
    doi: 10.1002/pro.580. Epub 2011 Feb 16. SJR: 8.0. Citations: 327.

 

2010

  • de Vries SJ, Melquiond AS, Kastritis PL, Karaca E, Bordogna A, van Dijk M, Rodrigues JP, Bonvin AM. Strengths and weaknesses of data-driven docking in critical assessment of prediction of interactions. Proteins. 2010 Nov 15;78(15):3242-9.
    doi: 10.1002/prot.22814. SJR: 2.9. Citations: 53.
  • Karaca E, Melquiond AS, de Vries SJ, Kastritis PL, Bonvin AM. Building macromolecular assemblies by information-driven docking: introducing the HADDOCK multibody docking server. Mol Cell Proteomics. 2010 Aug;9(8):1784-94.
    doi: 10.1074/mcp.M000051-MCP201. SJR: 7.0. Citations: 154.
  • Kastritis PL#, Bonvin AM. Are scoring functions in protein-protein docking ready to predict interactomes? Clues from a novel binding affinity benchmark. J Proteome Res. 2010 May 7;9(5):2216-25.
    doi: 10.1021/pr9009854. SJR: 4.4. Citations: 285.

 

2007

  • Kastritis PL#, Papandreou NC, Hamodrakas SJ. Haloadaptation: insights from comparative modeling studies of halophilic archaeal DHFRs. Int J Biol Macromol. 2007 Oct 1;41(4):447-53.
    doi: 10.1016/j.ijbiomac.2007.06.005. SJR: 8.2. Citations: 81.

 

 

 

Monographs

 

A picture containing diagram  Description automatically generated
On the binding affinity of macromolecular complexes: daring to ask why proteins interact. (in English, abstract in Greek)
Kastritis PL. Utrecht University, Department of Chemistry, Ph.D. Thesis 2012 pp. 1-343 (in English)
Ph.D. Thesis. 2012.

 

Diagram  Description automatically generated

Biophysical studies on the inhibition of the enzyme dihydrofolate reductase by novel inhibitors and its structural adaptation in extreme environments. (Βιοφυσικές μελέτες στην αναστολή του ενζύμου διυδροφολική αναγωγάση (DHFR) από πρότυπους αναστολείς και στην δομική προσαρμοφή του σε ακραίες συνθήκες) (in Greek, abstract in English)
Kastritis PL. National and Kapodistrian University of Athens, Department of Biology, Diploma Thesis 2007 pp.1-134 (in Greek)
Diploma Thesis. 2007.

 

 

Journal & Book Covers [First or Corresponding Author]
  • Kastritis PL#, O'Reilly FJ, Bock T, Li Y, Rogon MZ, Buczak K, Romanov N, Betts MJ, Bui KH, Hagen WJ, Hennrich ML, Mackmull MT, Rappsilber J, Russell RB, Bork P, Beck M, Gavin AC. Capturing protein communities by structural proteomics in a
    thermophilic eukaryote. Mol Syst Biol. 2017 Jul 25;13(7):936.
    doi: 10.15252/msb.20167412. SJR: 9.9. Citations: 111.
  • Sorokina M, Belapure J, Tüting C, Paschke R, Papasotiriou I, Rodrigues JPGLM, Kastritis PL*. An Electrostatically-steered Conformational Selection Mechanism Promotes SARS-CoV-2 Spike Protein Variation. J Mol Biol. 2022 Jul 15;434(13):167637.
    doi: 10.1016/j.jmb.2022.167637.
  • Kyrilis FL, Meister A, Kastritis PL*. Integrative biology of native cell extracts: a new
    era for structural characterization of life processes. Biol Chem. 2019 Jun 26;400(7):831-846.
    doi: 10.1515/hsz-2018-0445. SJR: 3.7. Citations: 27.

cover   cover 02   cover03

 

  • Graphical user interface, application  Description automatically generatedBonvin AMJJ, van Dijk M, Karaca E, Kastritis PL, Melquiond ASJ, Schmitz C, de Vries SJ
    HADDOCK.  Encyclopedia of Biophysics, 2013 pp. 943.
    doi: 10.1007/978-3-642-16712-6. SJR: n/a. Citations: 1.

NMR of Biomolecules: Towards Mechanistic Systems Biology : Bertini, Ivano,  McGreevy, Kathleen S., Parigi, Giacomo: Amazon.de: Bücher

  • Schmitz C, Melquiond ASJ, de Vries SJ, Karaca E, van Dijk M, Kastritis PL, Bonvin AMJJ. Protein–Protein Docking with HADDOCK. NMR of biomolecules: towards mechanistic systems biology, 2012 pp. 520 - 535.
    doi: 10.1002/9783527644506.ch32. SJR: n/a. Citations: 9.

Antimicrobial Drug Discovery: Emerging Strategies (Advances in Molecular  and Cellular Microbiology, 22): 9781845939434: Medicine & Health Science  Books @ Amazon.com

  • Kastritis PL#, Bonvin AM. Predicting and dissecting high-order molecular complexity by information-driven biomolecular docking. Antimicrobial drug discovery: emerging strategies, 2012 pp. 232-246.
    doi: 10.1079/9781845939434.0232. SJR: n/a. Citations: 2.
  • A picture containing application  Description automatically generated

  • Kastritis PL#, van Dijk AD, Bonvin AM. Explicit treatment of water molecules in data-driven protein-protein docking: the solvated HADDOCKing approach. Methods Mol Biol. 2012;819:355-74.
    doi: 10.1007/978-1-61779-465-0_22. SJR: n/a. Citations: 25.

 

BioRxiv [pre-prints]

 

2022

  • Zahn, T.;  Zhu, Z.;  Ritoff, N.;  Krapf, J.;  Junker, A.;  Altmann, T.;  Schmutzer, T.;  Tüting, C.Kastritis, P. L.;  Babben, S.;  Quint, M.;  Pillen, K.; Maurer, A., Exotic alleles of EARLY FLOWERING 3 determine plant development and grain yield in barley. bioRxiv 2022, 2022.07.15.500212.
  • Semchonok, D. A.;  Siponen, M. I.;  Tüting, C.;  Charras, Q.;  Kyrilis, F. L.Hamdi, F.;  Sadian, Y.;  Jungas, C.; Kastritis, P. L., Cryo-EM structure of the Rhodobaca bogoriensis RC-LH1-PufX dimeric complex at 2.9 Å. bioRxiv 2022, 2022.02.25.481955.
  • Schmidt, L.Tüting, C.Kyrilis, F. L.Hamdi, F.Semchonok, D. A.;  Hause, G.;  Meister, A.;  Ihling, C.;  Shah, P. N. M.;  Stubbs, M. T.;  Sinz, A.;  Stuart, D. I.; Kastritis, P. L., Delineating organizational principles of the endogenous L-A virus by cryo-EM and computational analysis of native cell extracts. bioRxiv 2022, 2022.07.15.498668.
  • Heinz, V.;  Güler, G.;  Leone, V.;  Madej, M. G.;  Maksimov, S.;  Gärtner, R. M.;  Rudi, O.;  Hamdi, F.;  Kastritis, P. L.;  Mäntele, W.;  Krämer, R.;  Forrest, L. R.;  Perez, C.; Ziegler, C., Osmotic stress response in BetP: How lipids and K+ team up to overcome downregulation. bioRxiv 2022, 2022.06.02.493408.

 

2020

  • Tüting, C.;  Iacobucci, C.;  Ihling, C. H.;  Kastritis, P. L.*; Sinz, A.*, Structural Analysis of 70S Ribosomes by Cross-Linking/Mass Spectrometry Reveals Conformational Plasticity. bioRxiv 2020, 2020.05.04.077503. [Published in Sci Rep, publication #45]
  • Rodrigues, J. P.;  Barrera-Vilarmau, S.;  Teixeira, J. M. C.;  Seckel, E.;  Kastritis, P.L.; Levitt, M., Insights on cross-species transmission of SARS-CoV-2 from structural modeling. bioRxiv 2020, 2020.06.05.136861. [Published in PLOS Comp Biol, publication #50]
  • Rehkamp, A.;  Tänzler, D.;  Tüting, C.Kastritis, P. L.;  Iacobucci, C.;  Ihling, C. H.;  Kipping, M.;  Koch, K.-W.; Sinz, A., First 3D-Structural Data of Full-length Rod-Outer-Segment Guanylyl Cyclase 1 in Bovine Retina by Cross-linking/Mass Spectrometry. bioRxiv 2020, 2020.09.25.312835. [Published in J Mol Biol, publication #55]

2019

  • Niemeyer, M.;  Castillo, E. M.;  Ihling, C. H.;  Iacobucci, C.;  Wilde, V.;  Hellmuth, A.;  Hoehenwarter, W.;  Samodelov, S. L.;  Zurbriggen, M. D.;  Kastritis, P. L.;  Sinz, A.; Calderón Villalobos, L. I. A., Flexibility of intrinsically disordered degrons in AUX/IAA proteins reinforces auxin co-receptor assemblies. bioRxiv 2019, 787770. [Published in Nature Comm, publication #43]
  • Hamdi, F.;  Tüting, C.;  Semchonok, D. A.;  Visscher, K. M.;  Kyrilis, F. L.;  Meister, A.;  Skalidis, I.;  Schmidt, L.;  Parthier, C.;  Stubbs, M. T.; Kastritis, P. L.*, 2.7 Å cryo-EM structure of vitrified M. musculus H-chain apoferritin from 200 keV “screening microscope”. bioRxiv 2019, 738724. [Published in PLOS ONE, publication #40].                      

 

 

*Corresponding author

# First author

 

 

 

 

 


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