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المؤلفون: Céline M. Labbé, Charline Fagnen, Paula Homem-de-Mello, Maxime Louet, Cassiano Minoru Aono, Maria A. Miteva, 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 minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Muséum national d'Histoire naturelle (MNHN)-Centre National de la Recherche Scientifique (CNRS), Universidade Federal do ABC (UFABC), Muséum national d'Histoire naturelle (MNHN)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Centre National de la Recherche Scientifique (CNRS), Universidade Federal do ABC = Federal University of ABC = Université Fédérale de l'ABC [Brazil] (UFABC), HAL UPMC, Gestionnaire, ANR-16-CE17-0005,GENMSMD,Dissection génétique de la Susceptibilité Mendélienne aux infections mycobactériennes chez l'homme(2016), ANR-16-CE18-0025,ToxME,ToxME: une approche in silico intégrative pour comprendre des mécanismes de polymorphisme et des effets secondaires de médicaments liés a des enzymes du métabolisme(2016)
المصدر: PLoS ONE
PLoS ONE, Public Library of Science, 2018, 13 (5), pp.e0197249. ⟨10.1371/journal.pone.0197249⟩
PLoS ONE, 2018, 13 (5), pp.e0197249. ⟨10.1371/journal.pone.0197249⟩
PLoS ONE, Vol 13, Iss 5, p e0197249 (2018)مصطلحات موضوعية: 0301 basic medicine, Pharmacogenomic Variants, Protein Conformation, lcsh:Medicine, Plasma protein binding, Molecular Dynamics, Biochemistry, chemistry.chemical_compound, Database and Informatics Methods, Protein Structure Databases, 0302 clinical medicine, Protein structure, Computational Chemistry, Drug Metabolism, Biochemical Simulations, Medicine and Health Sciences, Macromolecular Structure Analysis, Post-Translational Modification, lcsh:Science, Heme, chemistry.chemical_classification, Multidisciplinary, Crystallography, biology, Molecular Structure, Physics, Prodrug, Condensed Matter Physics, Chemistry, 030220 oncology & carcinogenesis, Physical Sciences, Crystal Structure, Protein Binding, Research Article, Protein Structure, Molecular Dynamics Simulation, Research and Analysis Methods, Catalysis, 03 medical and health sciences, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, Humans, Solid State Physics, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, Pharmacokinetics, Molecular Biology, Cytochrome P-450 CYP2C9, Pharmacology, Chemical Physics, lcsh:R, Substrate (chemistry), Active site, Biology and Life Sciences, Computational Biology, Proteins, 030104 developmental biology, Enzyme, Biological Databases, chemistry, Mutation, Biophysics, biology.protein, lcsh:Q, Drug metabolism, Metabolism, Inborn Errors
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::566ec0fdece7f695a389d4bf0ce01d6bTest
https://pubmed.ncbi.nlm.nih.gov/29746595Test -
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المصدر: Scientific Reports
مصطلحات موضوعية: 0301 basic medicine, Principal Component Analysis, Multidisciplinary, Protein Conformation, Chemistry, Datasets as Topic, Small Molecule Libraries, Computational biology, Plasma protein binding, Bioinformatics, Article, Chemical space, Protein–protein interaction, Molecular Weight, 03 medical and health sciences, 030104 developmental biology, Protein structure, Models, Chemical, Cheminformatics, Protein Interaction Mapping, Computer Simulation, Identification (biology), Hydrophobic and Hydrophilic Interactions, Protein Binding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::126a7801d2d3e69a14db3e5aaa03a125Test
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المؤلفون: Olivier Sperandio, Guillaume Laconde, David Lagorce, Bruno O. Villoutreix, Céline M. Labbé
المساهمون: Molécules Thérapeutiques in silico (MTI), Université Paris Diderot - Paris 7 (UPD7)-Institut National de la Santé et de la Recherche Médicale (INSERM), Sperandio, Olivier
المصدر: Current Pharmaceutical Design
Current Pharmaceutical Design, Bentham Science Publishers, 2012, 18 (30), pp.4648-67
Protein-Protein Interactions in Drug Discoveryمصطلحات موضوعية: Druggability, protein-protein interactions, Bioinformatics, therapeutic targets, 01 natural sciences, Drug likeness, Drug Discovery, MESH: Proteins, Protein Interaction Maps, Enzyme Inhibitors, Chemical space, MESH: Protein Interaction Maps, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM], Principal Component Analysis, 0303 health sciences, [SDV.BIBS] Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], Chemistry, Drug discovery, [SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], MESH: Enzyme Inhibitors, Design drugs, druggability, Protein Binding, enzymes, Computational biology, chemoinformatics, G-Protein Coupled Receptor (GPCR), Article, Protein–protein interaction, Small Molecule Libraries, 03 medical and health sciences, MESH: Computer Simulation, MESH: Drug Discovery, MESH: Small Molecule Libraries, MESH: Protein Binding, Computer Simulation, Set (psychology), 030304 developmental biology, Pharmacology, MESH: Principal Component Analysis, Binding Sites, 010405 organic chemistry, Proteins, compound collection, mutations, 0104 chemical sciences, MESH: Binding Sites, ADME, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM]
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f50673bbfe618e15914c8a432263c815Test
https://www.hal.inserm.fr/inserm-00828202/file/Sperandio-CurrPharmDes-Oct2012-for-HAL.pdfTest