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المؤلفون: Christopher J. Mungall, Matthias Haimel, Fabian Hauck, Marc Hanauer, Nicolas Matentzoglu, Ganna Balagura, Ingo Helbig, Julie A. McMurry, Avi Z. Rosenberg, Amy Brower, Johanna L. Est, Julia Pazmandi, Maximilian Hastreiter, Melissa A. Haendel, Peter D. Galer, Nomi L. Harris, Gerhard Kindle, Michael Hartnett, Daniel Danis, Hugh Kearney, Shiva Ganesan, Yongqun He, Michael A. Gargano, Rebecca L. Peters, Matthias Griese, Roland Krause, Damian Smedley, Shahmir A. Rind, Katrin Knoflach, Tim Jeske, Gareth Baynam, Peter N. Robinson, Michael M. Segal, Leigh C. Carmody, David Lagorce, Monica Munoz-Torres, Christopher G. Chute, Christoph Klein, Zafer Yüksel, Jillian A. Miller, Tomer Talmy, Christina K Rapp, Julie Xian, Tiffany J. Callahan, Samuel A. Wiafe, David Lewis-Smith, Ana Rath, Nicole Vasilevsky, Yarlalu Thomas, Markus G. Seidel, Sebastian Köhler
المصدر: Nucleic Acids Research, 2021, Vol. 49
Nucleic Acids Researchمصطلحات موضوعية: endocrine system, Databases, Factual, Genotype, AcademicSubjects/SCI00010, International Cooperation, Biology, 03 medical and health sciences, 0302 clinical medicine, Human disease, Neonatal Screening, Electronic health record, Terminology as Topic, Human Phenotype Ontology, Genetics, Database Issue, Animals, Humans, Disease, 030304 developmental biology, 0303 health sciences, Internet, Genome, Extramural, fungi, Infant, Newborn, Computational Biology, Biological Ontologies, equipment and supplies, Data science, body regions, Disease Models, Animal, Phenotype, Pharmacogenetics, Clinical validity, International league against epilepsy, 030217 neurology & neurosurgery, Software
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2bf63733a75073d0317ef693d3429b7cTest
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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
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5c064c5ef5cfdd9725784bca1ddfacb1Test
https://hal.archives-ouvertes.fr/hal-02569625/documentTest -
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المؤلفون: Natacha Oliveira, Maria A. Miteva, David Lagorce, Bruno O. Villoutreix
المصدر: Drug Discovery Today. 22:1131-1133
مصطلحات موضوعية: 0301 basic medicine, Pharmacology, Chemistry, Chemical biology, Nanotechnology, Computational biology, High-Throughput Screening Assays, Pan-assay interference compounds, 03 medical and health sciences, 030104 developmental biology, 0302 clinical medicine, 030220 oncology & carcinogenesis, Drug Discovery, Drug Contamination
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e18818292761d1923ef43e996ad6a710Test
https://doi.org/10.1016/j.drudis.2017.05.017Test -
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المؤلفون: Barbara Zarzycka, David Lagorce, Mélaine A. Kuenemann, Gert Vriend, Céline M. Labbé, Maria A. Miteva, Bruno O. Villoutreix, Olivier Sperandio, Gerry A. F. Nicolaes
المساهمون: Promovendi CD, Biochemie, RS: CARIM - R1.01 - Blood proteins & engineering
المصدر: Nucleic Acids Research, 44, D542-7
Nucleic Acids Research, 44(D1), D542-D547. Oxford University Press
Nucleic Acids Research
Nucleic Acids Research, 44, D1, pp. D542-7مصطلحات موضوعية: 0301 basic medicine, Internet, Online database, Proteins, Computational biology, Chemical similarity, Biology, Bioinformatics, chEMBL, Chemical space, 3. Good health, 03 medical and health sciences, Identification (information), 030104 developmental biology, Pharmaceutical Preparations, Drug Discovery, Protein Interaction Mapping, Genetics, Database Issue, Table (database), UniProt, Databases, Protein, Nanomedicine Radboud Institute for Molecular Life Sciences [Radboudumc 19], PubChem
وصف الملف: application/pdf
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https://doi.org/10.1093/nar/gkv982Test -
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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: Naziha Bakouh, Dominique Eladari, Maxime Louet, Maria A. Miteva, Bruno O. Villoutreix, Yohan Bignon, Gabrielle Planelles, Jacques Teulon, Sara Bitam, David Lagorce
المساهمون: 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 des Cordeliers (CRC), Université Paris Diderot - Paris 7 (UPD7)-École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Descartes - Paris 5 (UPD5)-Institut National de la Santé et de la Recherche Médicale (INSERM), Diabète athérothrombose et thérapies Réunion Océan Indien (DéTROI), Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de La Réunion (UR), Service d’Explorations Fonctionnelles Rénales, Centre hospitalier Félix-Guyon [Saint-Denis, La Réunion], HAL UPMC, Gestionnaire, Université Pierre et Marie Curie - Paris 6 (UPMC)-École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université Paris Diderot - Paris 7 (UPD7)-Université Paris Descartes - Paris 5 (UPD5)-Institut National de la Santé et de la Recherche Médicale (INSERM), Université de La Réunion (UR)-Institut National de la Santé et de la Recherche Médicale (INSERM), Molécules Thérapeutique in silico, Recherche de molécules à visée thérapeutique par approches In Silico ( MTI ), Université Paris Diderot - Paris 7 ( UPD7 ) -Institut National de la Santé et de la Recherche Médicale ( INSERM ), Centre de Recherche des Cordeliers ( CRC ), Université Paris Diderot - Paris 7 ( UPD7 ) -École pratique des hautes études ( EPHE ) -Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Université Paris Descartes - Paris 5 ( UPD5 ) -Institut National de la Santé et de la Recherche Médicale ( INSERM ), Diabète athérothrombose et thérapies Réunion Océan Indien ( DéTROI ), Institut National de la Santé et de la Recherche Médicale ( INSERM ) -Université de la Réunion ( UR ), CHU Félix Guyon, Université Pierre et Marie Curie - Paris 6 (UPMC)-École Pratique des Hautes Études (EPHE)
المصدر: Scientific Reports
Scientific Reports, Nature Publishing Group, 2017, 7, pp.7249. ⟨10.1038/s41598-017-07794-5⟩
Scientific Reports, 2017, 7, pp.7249. ⟨10.1038/s41598-017-07794-5⟩
Scientific Reports, Nature Publishing Group, 2017, 7, pp.7249. 〈10.1038/s41598-017-07794-5〉
Scientific Reports, Vol 7, Iss 1, Pp 1-15 (2017)مصطلحات موضوعية: 0301 basic medicine, Models, Molecular, Quantitative structure–activity relationship, [SDV.BBM.BS] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM], Protein Conformation, Science, [CHIM.THER] Chemical Sciences/Medicinal Chemistry, In silico, Drug Evaluation, Preclinical, Quantitative Structure-Activity Relationship, Computational biology, [CHIM.THER]Chemical Sciences/Medicinal Chemistry, Pharmacology, Bartter syndrome, Article, Membrane Potentials, 03 medical and health sciences, Protein structure, Chlorides, Chloride Channels, medicine, Animals, Humans, Amino Acid Sequence, Membrane potential, Virtual screening, Multidisciplinary, Molecular Structure, [SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM], Chemistry, [ CHIM.THER ] Chemical Sciences/Medicinal Chemistry, medicine.disease, 3. Good health, Drug repositioning, 030104 developmental biology, Mutation, Chloride channel, Medicine, Cattle, Disease Susceptibility, Ion Channel Gating, [ SDV.BBM.BS ] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biomolecules [q-bio.BM]
وصف الملف: application/pdf
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https://hal.sorbonne-universite.fr/hal-01580157/file/s41598-017-07794-5.pdfTest -
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المؤلفون: Heriberto Bruzzoni-Giovanelli, Maria A. Miteva, Bruno O. Villoutreix, Mélaine A. Kuenemann, Jean-Luc Poyet, Olivier Sperandio, David Lagorce, Céline M. Labbé
المصدر: Molecular Informatics
مصطلحات موضوعية: Drug, PPI network, media_common.quotation_subject, In silico, Chemical biology, Computational biology, Review, Biology, Bioinformatics, Protein–protein interaction, 03 medical and health sciences, 0302 clinical medicine, Structural Biology, Experimental work, Protein–protein interaction modulators, 030304 developmental biology, media_common, 0303 health sciences, Drug discovery, Organic Chemistry, In silico methods, Limiting, 3. Good health, Computer Science Applications, 13. Climate action, Cheminformatics, 030220 oncology & carcinogenesis, Drug-like molecules, Molecular Medicine
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e3eda4604912a4e4e96083200185c0a5Test
http://europepmc.org/articles/PMC4160817Test -
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المؤلفون: Mélaine A. Kuenemann, Olivier Sperandio, David Lagorce, Bruno O. Villoutreix, Maria A. Miteva
المصدر: In Silico Drug Discovery and Design ISBN: 9781482217834
In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applicationsمصطلحات موضوعية: Chemistry, In silico, Rational design, Low molecular weight protein, Protein–protein interaction prediction, Computational biology, Bioinformatics
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::647c101d3f228b2ca9224472de5eab43Test
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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