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المؤلفون: Céline M. Labbé, Mélaine A. Kuenemann, David Lagorce, Bruno O. Villoutreix, Maria A. Miteva, Olivier Sperandio
المصدر: Progress in Biophysics and Molecular Biology. 119:20-32
مصطلحات موضوعية: Virtual screening, Computer science, Drug discovery, In silico, Biophysics, food and beverages, Ligands, Bioinformatics, Molecular Weight, Small Molecule Libraries, Cheminformatics, Drug Design, Animals, Humans, Computer Simulation, Low molecular weight protein, Protein Interaction Maps, Molecular Biology
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e24de5503643d33b8e21c9847753d816Test
https://doi.org/10.1016/j.pbiomolbio.2015.02.006Test -
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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
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8cc71b54f23fb0454d678dbf974777f4Test
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
https://doi.org/10.1201/b18799-21Test -
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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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المؤلفون: Christelle Reynes, Bruno O. Villoutreix, Philippe Vayer, Florent Chevillard, David Lagorce, Maria A. Miteva
المصدر: Molecular pharmaceutics. 9(11)
مصطلحات موضوعية: Molecular Structure, Chemistry, In silico, Reliability (computer networking), Pharmaceutical Science, Quantitative Structure-Activity Relationship, Water, Chemical similarity, Bioinformatics, computer.software_genre, Random forest, Data set, Models, Chemical, Pharmaceutical Preparations, Solubility, Test set, Drug Discovery, Molecular Medicine, Computer Simulation, Data mining, computer, Protocol (object-oriented programming), Software
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1edf7fed619cef10b7ec40785aeb6827Test
https://pubmed.ncbi.nlm.nih.gov/23072744Test -
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المصدر: Methods in Molecular Biology ISBN: 9781617794643
مصطلحات موضوعية: Identification (information), Virtual screening, ComputingMethodologies_PATTERNRECOGNITION, Lead (geology), Software, Drug discovery, Computer science, business.industry, Interface (computing), In silico, Software engineering, business, Automation
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::9fcdb7ee01bc00af4e9824b4406643daTest
https://doi.org/10.1007/978-1-61779-465-0_9Test -
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المؤلفون: Olivier Sperandio, Bruno O. Villoutreix, David Lagorce, Anne-Claude Camproux, Christelle Reynes, Maria A. Miteva
المصدر: ADMET for Medicinal Chemists: A Practical Guide
مصطلحات موضوعية: Computer science, In silico, Combinatorial chemistry, Adme tox
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::336a18b43a3d163b20fea356ca1ce4c4Test
https://doi.org/10.1002/9780470915110.ch2Test -
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المؤلفون: Tania Pencheva, Bruno O. Villoutreix, David Lagorce, Maria A. Miteva
المساهمون: Molécules Thérapeutiques in silico (MTI), Université Paris Diderot - Paris 7 (UPD7)-Institut National de la Santé et de la Recherche Médicale (INSERM), Centre of Biomedical Engineering, Bulgarian Academy of Sciences (BAS), We would like to thank the Inserm institute, Paris Descartes University and Paris Diderot University for supports. TP thanks the 'Mairie de Paris' fellowship and the National Science Fund of Bulgaria, BMC, Ed.
المصدر: BMC Chemical Biology
BMC Chemical Biology, BioMed Central, 2009, 9 (1), pp.6. ⟨10.1186/1472-6769-9-6⟩
BMC Chemical Biology, Vol 9, Iss 1, p 6 (2009)مصطلحات موضوعية: Computer science, In silico, Nanotechnology, Energy minimization, 01 natural sciences, Molecular mechanics, Computational science, lcsh:Biochemistry, 03 medical and health sciences, Drug Discovery, lcsh:QD415-436, [SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biochemistry [q-bio.BM], [SDV.BBM.BC] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biochemistry [q-bio.BM], [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM], 030304 developmental biology, 0303 health sciences, Virtual screening, [SDV.BIBS] Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], Drug discovery, Process (computing), [SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], Small molecule, [SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biomolecules [q-bio.BM], 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Molecular Medicine, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], Software, Generator (mathematics)
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fa10968df03b3c22dbaed8f0f5dc908dTest
https://doi.org/10.1186/1472-6769-9-6Test