يعرض 1 - 5 نتائج من 5 نتيجة بحث عن '"David Lagorce"', وقت الاستعلام: 1.50s تنقيح النتائج
  1. 1
    Rational design of small-molecule stabilizers of spermine synthase dimer by virtual screening and free energy-based approach

    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 ONE

    مصطلحات 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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  2. 2
    In Silico Mechanistic Profiling to Probe Small Molecule Binding to Sulfotransferases

    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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  3. 3
    Tyrosine Kinase Syk Non-Enzymatic Inhibitors and Potential Anti-Allergic Drug-Like Compounds Discovered by Virtual and In Vitro Screening

    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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  4. 4
    DG-AMMOS: A New tool to generate 3D conformation of small molecules using D istance G eometry and A utomated M olecular M echanics O ptimization for in silico S creening

    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


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  5. 5
    AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

    المؤلفون: Ilza Pajeva, David Lagorce, Bruno O. Villoutreix, Maria A. Miteva, Tania Pencheva

    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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