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المؤلفون: Marie-Edith Gourdel, Christophe Muller, Stéphane Bourg, Philippe Roche, Carine Derviaux, Olivier Sperandio, Bruno O. Villoutreix, David Lagorce, Xavier Morelli, Maria A. Miteva, Jean-Christophe Rain, Laurent Hoffer, Thomas W. Miller, Pascal Bonnet, Nicolas Bosc
المساهمون: Bioinformatique structurale - Structural Bioinformatics, Institut Pasteur [Paris]-Centre National de la Recherche Scientifique (CNRS), Molécules Thérapeutiques in silico (MTI), Université Paris Diderot - Paris 7 (UPD7)-Institut National de la Santé et de la Recherche Médicale (INSERM), Centre de Recherche en Cancérologie de Marseille (CRCM), Centre National de la Recherche Scientifique (CNRS)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut Paoli-Calmettes, Fédération nationale des Centres de lutte contre le Cancer (FNCLCC)-Fédération nationale des Centres de lutte contre le Cancer (FNCLCC)-Aix Marseille Université (AMU), Plateforme d'information et de services pour les maladies rares et les médicaments orphelins (Orphanet), Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Hôpital Broussais-Institut National de la Santé et de la Recherche Médicale (INSERM), Institut de Chimie Organique et Analytique (ICOA), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Institut National de la Santé et de la Recherche Médicale (INSERM), Institut Paoli-Calmettes, Fédération nationale des Centres de lutte contre le Cancer (FNCLCC), Hybrigenics [Paris], Hybrigenics, Pharmacochimie Moléculaire et Cellulaire (PMC - UMR_S 648), Centre National de la Recherche Scientifique (CNRS)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Paris Descartes - Paris 5 (UPD5), This work was supported by research funding from the French National Research Agency (ANR-15-CE18-0023, ANR-18-CE11-0023 and ANR-20-COVI-0047), Canceropole PACA Prematuration and U01 CA218259/CA/NCI NIH HHS (USA). N.B. and L.H. were supported by fellowships from ANR-15-CE18-0023. S.B. and P.B. wish to thank the Région Centre Val de Loire for financial support., We acknowledge the Datacentre IT and Scientific Computing plateform of the CRCM., ANR-15-CE18-0023,PPI-Chem,Développement de stratégies innovantes ciblant la modulation spécifique de complexes protéine-proteine(2015), ANR-18-CE11-0023,T6MeD-OC,DE LA DYNAMIQUE ET DIVERSITÉ STRUCTURALE DES COMPLEXES MEMBRANES DU T6SS VERS LE DÉVELOPPEMENT D'INHIBITEUR DE LA VIRULENCE(2018), Bioinformatique structurale, Institut des Matériaux, de Microélectronique et des Nanosciences de Provence (IM2NP), Aix Marseille Université (AMU)-Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS), Aix Marseille Université (AMU)-Institut Paoli-Calmettes, Fédération nationale des Centres de lutte contre le Cancer (FNCLCC)-Fédération nationale des Centres de lutte contre le Cancer (FNCLCC)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Assistance publique - Hôpitaux de Paris (AP-HP) (APHP)-Hôpital Broussais-Institut National de la Santé et de la Recherche Médicale (INSERM), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut National de la Santé et de la Recherche Médicale (INSERM), Centre de Bioinformatique, Biostatistique et Biologie Intégrative (C3BI), Institut Pasteur [Paris] (IP)-Centre National de la Recherche Scientifique (CNRS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Paris Descartes - Paris 5 (UPD5)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Bidaut, Ghislain, Développement de stratégies innovantes ciblant la modulation spécifique de complexes protéine-proteine - - PPI-Chem2015 - ANR-15-CE18-0023 - AAPG2015 - VALID, APPEL À PROJETS GÉNÉRIQUE 2018 - DE LA DYNAMIQUE ET DIVERSITÉ STRUCTURALE DES COMPLEXES MEMBRANES DU T6SS VERS LE DÉVELOPPEMENT D'INHIBITEUR DE LA VIRULENCE - - T6MeD-OC2018 - ANR-18-CE11-0023 - AAPG2018 - VALID
المصدر: ACS Chemical Biology
ACS Chemical Biology, American Chemical Society, 2020, 15 (6), pp.1566-1574. ⟨10.1021/acschembio.0c00179⟩
ACS Chemical Biology, 2020, 15 (6), pp.1566-1574. ⟨10.1021/acschembio.0c00179⟩
ACS Chem Biolمصطلحات موضوعية: 0301 basic medicine, Computer science, [CHIM.THER]Chemical Sciences/Medicinal Chemistry, 01 natural sciences, Biochemistry, drugs, Chemical library, protein-protein interaction, chemistry.chemical_compound, Drug Discovery, inhibitors, [CHIM.CHEM] Chemical Sciences/Cheminformatics, Protein Interaction Maps, CD47, ComputingMilieux_MISCELLANEOUS, [SDV.BIBS] Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], QSAR, General Medicine, [SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], Diversity Library, Molecular Medicine, HTS, [CHIM.CHEM]Chemical Sciences/Cheminformatics, Quantitative structure–activity relationship, PPI, [CHIM.THER] Chemical Sciences/Medicinal Chemistry, Chemical biology, chemical biology, Computational biology, focused library, Article, Protein–protein interaction, diversity, Small Molecule Libraries, 03 medical and health sciences, Molecular descriptor, On demand, SIRPα, Cluster analysis, 010405 organic chemistry, screening, Reproducibility of Results, High-Throughput Screening Assays, 0104 chemical sciences, 030104 developmental biology, ADMET, Models, Chemical, chemistry, chemical libraries, Databases, Chemical
وصف الملف: application/pdf
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https://hal.archives-ouvertes.fr/hal-02569625/documentTest -
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المصدر: Bioinformatics. 33:3658-3660
مصطلحات موضوعية: 0301 basic medicine, Statistics and Probability, Service (systems architecture), In silico, media_common.quotation_subject, Biology, Bioinformatics, 01 natural sciences, Biochemistry, 03 medical and health sciences, Annotation, Software, Drug Discovery, Computer Simulation, Quality (business), Molecular Biology, Selection (genetic algorithm), media_common, Information retrieval, 010405 organic chemistry, business.industry, Drug discovery, Computational Biology, 0104 chemical sciences, Computer Science Applications, Computational Mathematics, Identification (information), 030104 developmental biology, Computational Theory and Mathematics, business
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0fb4d7a3f5e28ad4e80206f01bb46a74Test
https://doi.org/10.1093/bioinformatics/btx491Test -
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المؤلفون: Jonathan B. Baell, Julien Maupetit, David Lagorce, Hervé Galons, Bruno O. Villoutreix, Maria A. Miteva, Pierre Tufféry, Olivier Sperandio
المصدر: Bioinformatics. 27:2018-2020
مصطلحات موضوعية: Statistics and Probability, Internet, Web server, Virtual screening, Database, business.industry, Computer science, Application server, computer.software_genre, Online Systems, Biochemistry, Computer Science Applications, Small Molecule Libraries, World Wide Web, Computational Mathematics, Pharmaceutical Preparations, Computational Theory and Mathematics, Web application, Computer Simulation, Hit selection, Electronics, business, Molecular Biology, computer, Software
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a79b19a516a3ea3c102cc9f7de127dddTest
https://doi.org/10.1093/bioinformatics/btr333Test -
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المؤلفون: Pierre Martineau, Guillaume Laconde, Maria A. Miteva, Piona Dariavach, David Lagorce, Bruno O. Villoutreix
المساهمون: Molécules Thérapeutiques in silico (MTI), Université Paris Diderot - Paris 7 (UPD7)-Institut National de la Santé et de la Recherche Médicale (INSERM), Institut de recherche en cancérologie de Montpellier (IRCM - U896 Inserm - UM1), Université Montpellier 1 (UM1)-CRLCC Val d'Aurelle - Paul Lamarque-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Montpellier (UM), Le Ster, Yves, CRLCC Val d'Aurelle - Paul Lamarque-Université de Montpellier (UM)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Montpellier 1 (UM1)
المصدر: PLoS ONE
PLoS ONE, Public Library of Science, 2011, 6 (6), pp.e21117. ⟨10.1371/journal.pone.0021117⟩
PLoS ONE, Vol 6, Iss 6, p e21117 (2011)مصطلحات موضوعية: [SDV.IMM] Life Sciences [q-bio]/Immunology, Immunology, Drug Evaluation, Preclinical, Syk, lcsh:Medicine, Biology, Models, Biological, 03 medical and health sciences, 0302 clinical medicine, In vivo, Cell Line, Tumor, Drug Discovery, Anti-Allergic Agents, Animals, Syk Kinase, Mast Cells, Enzyme Inhibitors, lcsh:Science, 030304 developmental biology, 0303 health sciences, Multidisciplinary, Molecular Structure, Drug discovery, Kinase, Allergy and Hypersensitivity, lcsh:R, Intracellular Signaling Peptides and Proteins, Computational Biology, Biological activity, [SDV.SP]Life Sciences [q-bio]/Pharmaceutical sciences, Protein-Tyrosine Kinases, Small molecule, In vitro, 3. Good health, Rats, [SDV.SP] Life Sciences [q-bio]/Pharmaceutical sciences, Biochemistry, 030220 oncology & carcinogenesis, [SDV.IMM]Life Sciences [q-bio]/Immunology, lcsh:Q, Tyrosine kinase, Research Article, Biotechnology
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3125f2fa9b7f92f8f7768022cdb9942fTest
http://europepmc.org/articles/PMC3118801Test -
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المصدر: BMC Bioinformatics
BMC Bioinformatics, Vol 9, Iss 1, p 438 (2008)مصطلحات موضوعية: Models, Molecular, Computer science, In silico, Binding pocket, Neuraminidase, lcsh:Computer applications to medicine. Medical informatics, Ligands, Energy minimization, Bioinformatics, Biochemistry, Molecular mechanics, Force field (chemistry), Small Molecule Libraries, Structural Biology, Binding site, lcsh:QH301-705.5, Molecular Biology, Virtual screening, Binding Sites, Drug discovery, Ligand, Methodology Article, Applied Mathematics, Proteins, A protein, computer.file_format, Protein Data Bank, Small molecule, Computer Science Applications, lcsh:Biology (General), Receptors, Estrogen, Drug Design, Proteins metabolism, lcsh:R858-859.7, Thermodynamics, Biochemical engineering, DNA microarray, computer, Algorithms, Software
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e12e8da5859f1eae6817fb7b4deae6ffTest
https://doi.org/10.1186/1471-2105-9-438Test -
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المؤلفون: Maria A. Miteva, Nicolas Sauton, David Lagorce, Bruno O. Villoutreix
المصدر: BMC Bioinformatics
BMC Bioinformatics, Vol 9, Iss 1, p 184 (2008)مصطلحات موضوعية: Models, Molecular, Databases, Factual, Computer science, Molecular Conformation, lcsh:Computer applications to medicine. Medical informatics, Ligands, Bioinformatics, Biochemistry, Molecular conformation, Computational science, User-Computer Interface, Isomerism, Structural Biology, DOCK, Molecule, Computer Simulation, Particle Size, Binding site, lcsh:QH301-705.5, Molecular Biology, Conformational isomerism, Virtual screening, Binding Sites, Ligand, Methodology Article, Applied Mathematics, Computational Biology, Computer Science Applications, lcsh:Biology (General), Protein–ligand docking, Docking (molecular), lcsh:R858-859.7, DNA microarray, Algorithms, Protein Binding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d3e9efb6d4a37ddfc3fc34464c64f7d7Test
https://doi.org/10.1186/1471-2105-9-184Test -
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المؤلفون: Nicolas Renault, Bruno O. Villoutreix, Maria A. Miteva, Matthieu Montes, David Lagorce, Olivier Sperandio
المصدر: ResearcherID
مصطلحات موضوعية: Computer science, In silico, Druggability, Quantitative Structure-Activity Relationship, Nanotechnology, Ligands, Biochemistry, Structural bioinformatics, Databases, Genetic, Macromolecular docking, Databases, Protein, Molecular Biology, Information Services, Internet, Binding Sites, Molecular Structure, business.industry, Drug discovery, Computational Biology, Cell Biology, General Medicine, Data science, Docking (molecular), Cheminformatics, Drug Design, Computer-Aided Design, The Internet, business, Algorithms, Software
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b9828e1eb097cc4d2c13c4a6e807ae8Test
https://pubmed.ncbi.nlm.nih.gov/17696871Test