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المؤلفون: Xiaoqin Zou, Théo Mauri, Hang Shi, Shaowen Zhu, Justas Dapkūnas, Yuanfei Sun, Didier Barradas-Bautista, Raphael A. G. Chaleil, Ragul Gowthaman, Sohee Kwon, Xianjin Xu, Zuzana Jandova, Genki Terashi, Ryota Ashizawa, Petras J. Kundrotas, Shuang Zhang, Tunde Aderinwale, Jian Liu, Sandor Vajda, Paul A. Bates, Jianlin Cheng, Daisuke Kihara, Luis A. Rodríguez-Lumbreras, Carlos A. Del Carpio Muñoz, Liming Qiu, Guillaume Brysbaert, Jorge Roel-Touris, Česlovas Venclovas, Tereza Clarence, Rui Yin, Amar Singh, Patryk A. Wesołowski, Rafał Ślusarz, Adam Liwo, Guangbo Yang, Agnieszka S. Karczyńska, Yoshiki Harada, Sergei Kotelnikov, Yuya Hanazono, Charlotte W. van Noort, Marc F. Lensink, Jonghun Won, Adam K. Sieradzan, Israel Desta, Xufeng Lu, Charles Christoffer, Anna Antoniak, Taeyong Park, Sheng-You Huang, Tsukasa Nakamura, Brian G. Pierce, Usman Ghani, Yang Shen, Luigi Cavallo, Chaok Seok, Hao Li, Nurul Nadzirin, Ghazaleh Taherzadeh, Jacob Verburgt, Rodrigo V. Honorato, Artur Giełdoń, Jeffrey J. Gray, Dima Kozakov, Ming Liu, Shan Chang, Eiichiro Ichiishi, Manon Réau, Rui Duan, Francesco Ambrosetti, Johnathan D. Guest, Juan Fernández-Recio, Alexandre M. J. J. Bonvin, Ilya A. Vakser, Farhan Quadir, Yumeng Yan, Ren Kong, Sameer Velankar, Sergei Grudinin, Mateusz Kogut, Mikhail Ignatov, Yasuomi Kiyota, Hyeonuk Woo, Shoshana J. Wodak, Ameya Harmalkar, Shinpei Kobayashi, Panagiotis I. Koukos, Zhen Cao, Kliment Olechnovič, Cezary Czaplewski, Xiao Wang, Agnieszka G. Lipska, Kathryn A. Porter, Peicong Lin, Emilia A. Lubecka, Nasser Hashemi, Bin Liu, Mayuko Takeda-Shitaka, Karolina Zięba, Dzmitry Padhorny, Zhuyezi Sun, Daipayan Sarkar, Romina Oliva, Andrey Alekseenko, Siri Camee van Keulen, Mireia Rosell, Raj S. Roy, Brian Jiménez-García, Jinsol Yang, Martyna Maszota-Zieleniak
المساهمون: Cancer Research UK, Department of Energy and Climate Change (UK), European Commission, Institut National de Recherche en Informatique et en Automatique (France), Medical Research Council (UK), Japan Society for the Promotion of Science, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), National Institute of General Medical Sciences (US), National Institutes of Health (US), National Natural Science Foundation of China, National Science Foundation (US), Unité de Glycobiologie Structurale et Fonctionnelle (UGSF), Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), European Bioinformatics Institute [Hinxton] (EMBL-EBI), EMBL Heidelberg, Biomolecular Modelling Laboratory [London], The Francis Crick Institute [London], Jiangsu University of Technology [Changzhou], Department of Electrical Engineering and Computer Science [Columbia] (EECS), University of Missouri [Columbia] (Mizzou), University of Missouri System-University of Missouri System, Institute for Data Science and Informatics [Columbia], University of Gdańsk (UG), Faculty of Electronics, Telecommunications and Informatics [GUT Gdańsk] (ETI), Gdańsk University of Technology (GUT), Medical University of Gdańsk, Graduate School of Medical Sciences [Nagoya], Nagoya City University [Nagoya, Japan], International University of Health and Welfare Hospital (IUHW Hospital), Department of Chemical and Biomolecular Engineering [Baltimore], Johns Hopkins University (JHU), Bijvoet Center of Biomolecular Research [Utrecht], Utrecht University [Utrecht], Stony Brook University [SUNY] (SBU), State University of New York (SUNY), Innopolis University, Boston University [Boston] (BU), Russian Academy of Sciences [Moscow] (RAS), Barcelona Supercomputing Center - Centro Nacional de Supercomputacion (BSC - CNS), Universidad de La Rioja (UR), Algorithms for Modeling and Simulation of Nanosystems (NANO-D), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire Jean Kuntzmann (LJK), Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA), Données, Apprentissage et Optimisation (DAO), Laboratoire Jean Kuntzmann (LJK), Université Grenoble Alpes (UGA)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Huazhong University of Science and Technology [Wuhan] (HUST), Indiana University - Purdue University Indianapolis (IUPUI), Indiana University System, Graduate School of Information Sciences [Sendaï], Tohoku University [Sendai], National Institutes for Quantum and Radiological Science and Technology (QST), University of Maryland [Baltimore], King Abdullah University of Science and Technology (KAUST), University of Naples Federico II, Texas A&M University [Galveston], Seoul National University [Seoul] (SNU), Kitasato University, University of Kansas [Lawrence] (KU), Vilnius University [Vilnius], University of Missouri System, VIB-VUB Center for Structural Biology [Bruxelles], VIB [Belgium], Sub NMR Spectroscopy, Sub Overig UiLOTS, Sub Mathematics Education, NMR Spectroscopy, Université de Lille, CNRS, Unité de Glycobiologie Structurale et Fonctionnelle (UGSF) - UMR 8576, European Bioinformatics Institute [Hinxton] [EMBL-EBI], Department of Electrical Engineering and Computer Science [Columbia] [EECS], Faculty of Chemistry [Univ Gdańsk], Faculty of Electronics, Telecommunications and Informatics [GUT Gdańsk] [ETI], International University of Health and Welfare Hospital [IUHW Hospital], Johns Hopkins University [JHU], Stony Brook University [SUNY] [SBU], Department of Biomedical Engineering [Boston], Instituto de Ciencias de la Vid y el Vino [ICVV], Huazhong University of Science and Technology [Wuhan] [HUST], Indiana University - Purdue University Indianapolis [IUPUI], National Institutes for Quantum and Radiological Science and Technology [QST], King Abdullah University of Science and Technology [KAUST], Università degli Studi di Napoli 'Parthenope' = University of Naples [PARTHENOPE], Seoul National University [Seoul] [SNU], University of Kansas [Lawrence] [KU], University of Missouri [Columbia] [Mizzou], Unité de Glycobiologie Structurale et Fonctionnelle - UMR 8576 (UGSF), Université de Lille-Centre National de la Recherche Scientifique (CNRS), University of Naples Federico II = Università degli studi di Napoli Federico II, European Project: 675728,H2020,H2020-EINFRA-2015-1,BioExcel(2015), European Project: 823830,H2020-EU.1.4.1.3. Development, deployment and operation of ICT-based e-infrastructures, H2020-EU.1.4. EXCELLENT SCIENCE - Research Infrastructures ,BioExcel-2(2019), European Project: 777536,H2020-EU.1.4.1.3. Development, deployment and operation of ICT-based e-infrastructures, H2020-EU.1.4. EXCELLENT SCIENCE - Research Infrastructures,EOSC-hub(2018)
المصدر: Proteins: Structure, Function and Bioinformatics, 89(12), 1800. Wiley-Liss Inc.
Proteins-Structure, Function and Bioinformatics
Proteins-Structure, Function and Bioinformatics, Wiley, 2021, ⟨10.1002/prot.26222⟩
Digital.CSIC. Repositorio Institucional del CSIC
instname
Proteins
Proteins-Structure, Function and Bioinformatics, 2021, 89 (12), pp.1800-1823. ⟨10.1002/prot.26222⟩مصطلحات موضوعية: Models, Molecular, blind prediction, CAPRI, CASP, docking, oligomeric state, protein assemblies, protein complexes, protein docking, protein–protein interaction, template-based modeling, Computer science, [SDV]Life Sciences [q-bio], Machine learning, computer.software_genre, Biochemistry, Article, protein-protein interaction, 03 medical and health sciences, Sequence Analysis, Protein, Structural Biology, Server, Protein Interaction Domains and Motifs, Molecular Biology, ComputingMilieux_MISCELLANEOUS, 030304 developmental biology, 0303 health sciences, Binding Sites, business.industry, 030302 biochemistry & molecular biology, Computational Biology, Proteins, 3. Good health, Molecular Docking Simulation, Artificial intelligence, business, computer, Software
وصف الملف: application/pdf; application/octet-stream
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المؤلفون: Emilia A. Lubecka, Tomasz K Wirecki, Mariusz Makowski, Agnieszka S. Karczyńska, Agnieszka G. Lipska, Paweł Krupa, Adam Liwo, Adam K. Sieradzan, Stanisław Ołdziej, Ewa Gołaś, Magdalena A. Mozolewska, Cezary Czaplewski
المصدر: Protein Folding ISBN: 9781071617151
مصطلحات موضوعية: Protein dynamics, Structure (category theory), Protein folding, Statistical physics, Granularity, Protein structure prediction, Langevin dynamics, Force field (chemistry)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b7c157ffd4e3689033dd069f78e0c20d
https://doi.org/10.1007/978-1-0716-1716-8_23 -
3
المؤلفون: Adam K, Sieradzan, Cezary, Czaplewski, Paweł, Krupa, Magdalena A, Mozolewska, Agnieszka S, Karczyńska, Agnieszka G, Lipska, Emilia A, Lubecka, Ewa, Gołaś, Tomasz, Wirecki, Mariusz, Makowski, Stanisław, Ołdziej, Adam, Liwo
المصدر: Methods in molecular biology (Clifton, N.J.). 2376
مصطلحات موضوعية: Protein Folding, Protein Conformation, Entropy, Proteins, Molecular Dynamics Simulation
URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::12e1cd6159f6746e938f016a8488aac0
https://pubmed.ncbi.nlm.nih.gov/34845623 -
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المؤلفون: Dawid Dębowski, Natalia Ptaszyńska, Anna Łęgowska, Agata Gitlin-Domagalska, Katarzyna Gucwa, Dominika Starego, Sergey A. Samsonov, Agnieszka S. Karczyńska, Michael Gütschow, Krzysztof Rolka, Adam K. Sieradzan, Martin Mangold
المصدر: Biochimie. :178-186
مصطلحات موضوعية: 0301 basic medicine, Proteases, Stereochemistry, Plasmin, Peptide, Biochemistry, Serine, 03 medical and health sciences, medicine, Animals, Humans, Matriptase, Enzyme Inhibitors, chemistry.chemical_classification, 030102 biochemistry & molecular biology, biology, Serine Endopeptidases, Protein primary structure, General Medicine, Cyclic peptide, 030104 developmental biology, Enzyme, chemistry, Proteolysis, biology.protein, Cattle, Peptides, medicine.drug
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المصدر: Journal of Chemical Information and Modeling
مصطلحات موضوعية: Proteases, General Chemical Engineering, Proteolysis, Allosteric regulation, Library and Information Sciences, 01 natural sciences, Cathepsin B, Article, Extracellular matrix, Glycosaminoglycan, Zymogen, 0103 physical sciences, medicine, Biological Phenomena, Glycosaminoglycans, Cathepsin, Enzyme Precursors, 010304 chemical physics, medicine.diagnostic_test, Chemistry, General Chemistry, Cathepsins, 0104 chemical sciences, Computer Science Applications, Cell biology, 010404 medicinal & biomolecular chemistry
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المؤلفون: Agnieszka S. Karczyńska, Agnieszka G. Lipska, Adam Liwo, Artur Giełdoń, Adam K. Sieradzan, Silvia Crivelli, Karolina Ziȩba, Łukasz Golon, Magdalena A. Mozolewska, Urszula Uciechowska, Sergey A. Samsonov, Magdalena J. Ślusarz, Paweł Krupa, Emilia A. Lubecka, Rafał Ślusarz, Cezary Czaplewski, Celina Sikorska
المصدر: Journal of Molecular Graphics and Modelling. 92:154-166
مصطلحات موضوعية: Models, Molecular, Physics, Template free, Protein Conformation, Ab initio, Golgi Matrix Proteins, Proteins, Protein structure prediction, Neutron scattering, Computer Graphics and Computer-Aided Design, Multiscale modeling, Force field (chemistry), Protein structure, Materials Chemistry, Statistical physics, Physical and Theoretical Chemistry, Peptides, CASP, Algorithms, Spectroscopy
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المؤلفون: Yumeng Yan, Mateusz Kogut, Sohee Kwon, Israel Desta, Petras J. Kundrotas, Xiaoqin Zou, Xiao Wang, Dima Kozakov, Eiichiro Ichiishi, Kathryn A. Porter, Johnathan D. Guest, Brian G. Pierce, Daisuke Kihara, Česlovas Venclovas, Agnieszka G. Lipska, Luigi Cavallo, Panagiotis I. Koukos, Yang Shen, Ren Kong, Brian Jiménez-García, Kliment Olechnovič, Cezary Czaplewski, Peicong Lin, Sameer Velankar, Shoshana J. Wodak, Agnieszka S. Karczyńska, Emilia A. Lubecka, Mikhail Ignatov, Shan Chang, Daipayan Sarkar, Sheng-You Huang, Chaok Seok, Nurul Nadzirin, Hao Li, Anna Antoniak, Manon Réau, Hyeonuk Woo, Siri Camee van Keulen, Ryota Ashizawa, Nasser Hashemi, Adam Liwo, Zhen Cao, Yoshiki Harada, Genki Terashi, Ameya Harmalkar, Farhan Quadir, Shinpei Kobayashi, Sandor Vajda, Zuzana Jandova, Juan Fernández-Recio, Amar Singh, Martyna Maszota-Zieleniak, Rodrigo V. Honorato, Usman Ghani, Sergei Grudinin, Xufeng Lu, Jorge Roel-Touris, Ming Liu, Paul A. Bates, Ghazaleh Taherzadeh, Adam K. Sieradzan, Patryk A. Wesołowski, Théo Mauri, Ilya A. Vakser, Francesco Ambrosetti, Jinsol Yang, Sergei Kotelnikov, Hang Shi, Shuang Zhang, Marc F. Lensink, Justas Dapkūnas, Yasuomi Kiyota, Taeyong Park, Mayuko Takeda-Shitaka, Andrey Alekseenko, Jian Liu, Artur Giełdoń, Ragul Gowthaman, Jonghun Won, Tsukasa Nakamura, Tunde Aderinwale, Yuanfei Sun, Guillaume Brysbaert, Jeffrey J. Gray, Luis A. Rodríguez-Lumbreras, Yuya Hanazono, Charlotte W. van Noort, Carlos A. Del Carpio Muñoz, Rui Duan, Alexandre M. J. J. Bonvin, Jianlin Cheng, Liming Qiu, Tereza Clarence, Rui Yin, Guangbo Yang, Shaowen Zhu, Didier Barradas-Bautista, Rafał Ślusarz, Raphael A. G. Chaleil, Charles Christoffer, Jacob Verburgt, Dzmitry Padhorny, Zhuyezi Sun, Romina Oliva, Mireia Rosell, Raj S. Roy, Bin Liu, Karolina Zięba
مصطلحات موضوعية: Frontier, Computer science, Econometrics
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::4ef61647ab31e6706772c0fd1df032b4
https://doi.org/10.1002/prot.26222/v2/response1 -
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المؤلفون: Magdalena A. Mozolewska, Cezary Czaplewski, Adam Liwo, Agnieszka S. Karczyńska, Adam K. Sieradzan, Sergey A. Samsonov, Emilia A. Lubecka, Paweł Krupa
المصدر: Practical Aspects of Computational Chemistry V ISBN: 9783030832438
Practical Aspects of Computational Chemistry Vمصطلحات موضوعية: Physics, Nanochemistry, Physics based, Coarse-grained modeling, Computational science
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e3d1cd386846b85e2e58de9d97d3d3cf
https://doi.org/10.1007/978-3-030-83244-5_2 -
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المؤلفون: Agnieszka S. Karczyńska, Cezary Czaplewski, Adam Liwo, Paweł Krupa, Magdalena A. Mozolewska
المصدر: Bioinformatics. 37:1613-1615
مصطلحات موضوعية: Statistics and Probability, Protein Conformation, Computer science, 030303 biophysics, Peptide, Computational biology, Molecular Dynamics Simulation, Biochemistry, Molecular Docking Simulation, 03 medical and health sciences, Molecular dynamics, Protein structure, DOCK, Macromolecular docking, Molecular Biology, 030304 developmental biology, chemistry.chemical_classification, 0303 health sciences, Replica, Proteins, Computer Science Applications, Computational Mathematics, Computational Theory and Mathematics, chemistry, Docking (molecular), Peptides
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::56f6117c464d7bd25d9d8e45a0218c93
https://doi.org/10.1093/bioinformatics/btaa897 -
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المؤلفون: Cezary Czaplewski, Agnieszka S. Karczyńska, Rafal Slusarz, Mariusz Makowski, Anna Antoniak, Agnieszka G. Lipska, Artur P. Gieldon, Henryk Leszczyński, Paweł Krupa, Jozef A. Liwo, Patryk A. Wesołowski, Adam K. Sieradzan, Antoni Augustynowicz, Mateusz Kogut, Emilia A. Lubecka
المصدر: Biophysical Journal. 120:83a-84a
مصطلحات موضوعية: Physics, Biophysics, Extension (predicate logic), Physics based, Computational science