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1دورية أكاديمية
المؤلفون: Virginie Y Martiny, Pablo Carbonell, David Lagorce, Bruno O Villoutreix, Gautier Moroy, Maria A Miteva
المصدر: PLoS ONE, Vol 8, Iss 9, p e73587 (2013)
وصف الملف: electronic resource
العلاقة: https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/24039991/?tool=EBITest; https://doaj.org/toc/1932-6203Test
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المؤلفون: Virginie Y. Martiny, Patrick Penner, Arnaud Gohier, Marcus Gastreich, Pierre Ducrot, David Brown, Matthias Rarey
المصدر: Journal of chemical information and modeling. 60(12)
مصطلحات موضوعية: Structure (mathematical logic), Computer science, General Chemical Engineering, Volume (computing), Molecular Conformation, General Chemistry, Library and Information Sciences, computer.software_genre, Ligands, Computer Science Applications, Set (abstract data type), Task (computing), Workflow, Fragment (logic), Robustness (computer science), Drug Design, Key (cryptography), Data mining, computer
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ef16ad6f6b59d290fce1c4acdd0709fTest
https://pubmed.ncbi.nlm.nih.gov/33196169Test -
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المؤلفون: Virginie Y. Martiny, Maria A. Miteva
المصدر: Journal of Molecular Biology. 425:3978-3992
مصطلحات موضوعية: Models, Molecular, Drug, Drug-Related Side Effects and Adverse Reactions, media_common.quotation_subject, Single-nucleotide polymorphism, Endogeny, Biology, Pharmacology, urologic and male genital diseases, Cytochrome P-450 Enzyme System, Structural Biology, microRNA, Humans, SNP, heterocyclic compounds, Molecular Biology, Carcinogen, media_common, Polymorphism, Genetic, organic chemicals, Cytochrome P450, respiratory system, enzymes and coenzymes (carbohydrates), biology.protein, Metabolic Detoxication, Phase I, Drug metabolism
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0748bd14745b1f9d60239252b077b5e7Test
https://doi.org/10.1016/j.jmb.2013.07.010Test -
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المؤلفون: Virginie Y. Martiny, Edithe Selwa, Bogdan I. Iorga
المساهمون: Institut de Chimie des Substances Naturelles (ICSN), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Des Maladies Rénales Rares aux Maladies Fréquentes, Remodelage et Réparation, Institut National de la Santé et de la Recherche Médicale (INSERM)-Sorbonne Université (SU)
المصدر: Journal of Computer-Aided Molecular Design
Journal of Computer-Aided Molecular Design, Springer Verlag, 2016, 30 (9), pp.829-839. ⟨10.1007/s10822-016-9983-3⟩مصطلحات موضوعية: 0301 basic medicine, Heat Shock Protein 90, Protein Conformation, Protein Data Bank (RCSB PDB), Computational biology, Biology, Protein Serine-Threonine Kinases, Ligands, Preliminary analysis, 03 medical and health sciences, Structure-Activity Relationship, Glide, Drug Discovery, scoring function, Humans, HSP90 Heat-Shock Proteins, Physical and Theoretical Chemistry, Binding site, Protein kinase A, Databases, Protein, Autodock, Binding Sites, Intracellular Signaling Peptides and Proteins, AutoDock, Computer Science Applications, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Molecular Docking Simulation, 030104 developmental biology, Biochemistry, Docking (molecular), Drug Design, docking, Gold, PubChem, Algorithms, Protein Binding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a341e6ea472cf0e4bc7a4fa0ab783f8Test
https://pubmed.ncbi.nlm.nih.gov/27699554Test -
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المؤلفون: Virginie Y. Martiny, François Martz, Bogdan I. Iorga, Edithe Selwa
المساهمون: Institut de Chimie des Substances Naturelles (ICSN), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Des Maladies Rénales Rares aux Maladies Fréquentes, Remodelage et Réparation, Institut National de la Santé et de la Recherche Médicale (INSERM)-Sorbonne Université (SU), Service de Néphrologie et Dialyses [CHU Tenon], Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-CHU Tenon [AP-HP], Sorbonne Université (SU)-Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU), ANR-11-IDEX-0003,IPS,Idex Paris-Saclay(2011), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Service de Département de Néphrologie = Service de Néphrologie et Dialyses [CHU Tenon], CHU Tenon [AP-HP], Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU)-Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU), RONCO, Pierre, Idex Paris-Saclay - - IPS2011 - ANR-11-IDEX-0003 - IDEX - VALID
المصدر: Journal of Chemical Information and Modeling
Journal of Chemical Information and Modeling, American Chemical Society, 2016, 56 (6), pp.996-1003. ⟨10.1021/acs.jcim.5b00337⟩
Journal of Chemical Information and Modeling, 2016, 56 (6), pp.996-1003. ⟨10.1021/acs.jcim.5b00337⟩مصطلحات موضوعية: 0301 basic medicine, Molecular model, Computer science, Protein Conformation, General Chemical Engineering, Library and Information Sciences, Machine learning, computer.software_genre, Molecular Docking Simulation, Preliminary analysis, 03 medical and health sciences, Protein structure, [SDV.BBM.GTP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Genomics [q-bio.GN], Syk Kinase, Databases, Protein, tRNA Methyltransferases, [SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM], business.industry, TRNA Methyltransferase, Proteins, General Chemistry, computer.file_format, Protein Data Bank, Computer Science Applications, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Benchmarking, 030104 developmental biology, Docking (molecular), Factor Xa, [SDV.BBM.GTP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Genomics [q-bio.GN], Pose prediction, Artificial intelligence, business, computer
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5bcc87edd2deae828bac887463390af9Test
https://www.hal.inserm.fr/inserm-02193792Test -
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المؤلفون: Gautier Moroy, Florent Chevillard, Philippe Vayer, Pablo Carbonell, Arnaud Nicot, Bruno O. Villoutreix, Maria A. Miteva, Virginie Y. Martiny
المساهمون: Molécules Thérapeutiques in silico (MTI), Université Paris Diderot - Paris 7 (UPD7)-Institut National de la Santé et de la Recherche Médicale (INSERM), Université Sorbonne Paris Cité (USPC), Research Unit on Biomedical Informatics (GRIB), Universitat Pompeu Fabra [Barcelona] (UPF), Centre de Recherche en Transplantation et Immunologie (U1064 Inserm - CRTI), Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Nantes - UFR de Médecine et des Techniques Médicales (UFR MEDECINE), Université de Nantes (UN)-Université de Nantes (UN), Département de Modélisation Bioinformatique [Orléans] (Technologie Servier), Technologie Servier, Support from Servier, (INSERM) the French National Research Institute and the University Paris Diderot is greatly appreciated. V.M. is supported by the ED 563 MTCI and the ERC advanced grant of Prof. P. Ronco, Inserm 1155, Tenon Hospital. P.C. is supported by UPFellows program with the support of the Marie Curie COFUND program and by BBSRC/Engineering and Physical Sciences Research Council (EPSRC) grant BB/M017702/1., Le Bihan, Sylvie
المصدر: Bioinformatics
Bioinformatics, Oxford University Press (OUP), 2015, 31 (24), pp.3930-7. ⟨10.1093/bioinformatics/btv486⟩
Bioinformatics, 2015, 31 (24), pp.3930-7. ⟨10.1093/bioinformatics/btv486⟩
University of Manchester-PUREمصطلحات موضوعية: Statistics and Probability, Quantitative structure–activity relationship, Protein Conformation, In silico, Computational biology, Biology, Molecular Dynamics Simulation, Ligands, 030226 pharmacology & pharmacy, Biochemistry, digestive system, Cytochrome P-450 CYP2D6 Inhibitors, Machine Learning, 03 medical and health sciences, 0302 clinical medicine, Protein structure, Cytochrome P-450 Enzyme System, Molecular descriptor, Humans, Binding site, skin and connective tissue diseases, Molecular Biology, 030304 developmental biology, 0303 health sciences, Binding Sites, [SDV.MHEP] Life Sciences [q-bio]/Human health and pathology, Drug discovery, Computer Science Applications, Computational Mathematics, Computational Theory and Mathematics, Cytochrome P-450 CYP2D6, Docking (molecular), Algorithms, [SDV.MHEP]Life Sciences [q-bio]/Human health and pathology
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bfeaf09f48297c62805308cd306ccbf9Test
https://www.hal.inserm.fr/inserm-02146557/documentTest -
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المصدر: Predictive ADMET: Integrative Approaches in Drug Discovery and Development
مصطلحات موضوعية: Chemistry
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::76134e5e1bb6d8b96cf12e3f82134f18Test
https://doi.org/10.1002/9781118783344.ch7Test -
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المؤلفون: Zhe Zhang, David Lagorce, Emil Alexov, Virginie Y. Martiny, Maria A. Miteva, Yoshihiko Ikeguchi
المصدر: PLoS ONE, Vol 9, Iss 10, p e110884 (2014)
PLoS ONEمصطلحات موضوعية: Protein Conformation, Chemistry, Pharmaceutical, Spermine Synthase, Mutant, Biophysics, Mutation, Missense, lcsh:Medicine, Molecular Dynamics Simulation, Crystallography, X-Ray, Protein structure, Intellectual Disability, Protein Interaction Mapping, Humans, Binding site, lcsh:Science, Genetics, Virtual screening, Binding Sites, Multidisciplinary, biology, Chemistry, lcsh:R, Rational design, Biology and Life Sciences, Computational Biology, Small molecule, Spermine synthase, Drug Design, Mutation, Mental Retardation, X-Linked, biology.protein, Thermodynamics, lcsh:Q, Protein Multimerization, Small molecule binding, Research Article, Protein Binding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca27c4ced8eeedc3221e35f57cf57301Test
http://europepmc.org/articles/PMC4207787?pdf=renderTest -
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المؤلفون: Pablo Carbonell, Gautier Moroy, Bruno O. Villoutreix, Maria A. Miteva, David Lagorce, Virginie Y. Martiny
المصدر: PLoS ONE
PLoS ONE, Vol 8, Iss 9, p e73587 (2013)مصطلحات موضوعية: Models, Molecular, Quantitative structure–activity relationship, In silico, Science, Quantitative Structure-Activity Relationship, Computational biology, Molecular Dynamics Simulation, Bioinformatics, Crystallography, X-Ray, Ligands, 01 natural sciences, Xenobiotics, Small Molecule Libraries, 03 medical and health sciences, 0103 physical sciences, Humans, Computer Simulation, Binding site, 030304 developmental biology, 0303 health sciences, Multidisciplinary, Binding Sites, 010304 chemical physics, Molecular Structure, Chemistry, Ligand (biochemistry), Small molecule, Arylsulfotransferase, 3. Good health, Protein Structure, Tertiary, Docking (molecular), Medicine, Thermodynamics, Small molecule binding, Sulfotransferases, Research Article, Protein Binding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df34ff7e23334479f964e7ad71caccb9Test
http://europepmc.org/articles/PMC3765257Test -
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المصدر: Drug discovery today. 17(1-2)
مصطلحات موضوعية: Pharmacology, Quantitative structure–activity relationship, Metabolizing enzymes, Drug-Related Side Effects and Adverse Reactions, Drug discovery, Chemistry, In silico, Quantitative Structure-Activity Relationship, Computational biology, Bioinformatics, Absorption, Pharmaceutical Preparations, Drug Discovery, Structure based, Animals, Humans, Pharmacokinetics
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8fd1d0e444a8bc2a49c55a902abf208bTest
https://pubmed.ncbi.nlm.nih.gov/22056716Test
النص الكامل