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المؤلفون: Frank Balzer, Florent Chevillard, Jillian G. Baker, Ádám Andor Kelemen, Vivien A Aranyodi, György M. Keserű, Peter Kolb
المصدر: Chemical Communications. 57:10516-10519
مصطلحات موضوعية: Stereochemistry, Chemistry, Metals and Alloys, Binding pocket, General Chemistry, Catalysis, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Fragment (logic), Docking (molecular), Materials Chemistry, Ceramics and Composites, Binding site, G protein-coupled receptor
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c3b503925d540c183a6b860feea03147
https://doi.org/10.1039/d1cc04636e -
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المؤلفون: Lukas Heyder, Phil M.M. Hochban, Corey Taylor, Florent Chevillard, Christof Siefker, Christian Iking, Hannes Borchardt, Achim Aigner, Gerhard Klebe, Andreas Heine, Peter Kolb, Wibke E. Diederich
المصدر: European Journal of Medicinal Chemistry. 245:114914
مصطلحات موضوعية: Pharmacology, Crystallography, Proto-Oncogene Proteins c-pim-1, Nucleotides, Organic Chemistry, Drug Discovery, Cluster Analysis, General Medicine
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المؤلفون: Oliver Pilgram, Aline Keils, Gerrit E. Benary, Janis Müller, Stefan Merkl, Sandrine Ngaha, Simon Huber, Florent Chevillard, Anne Harbig, Viktor Magdolen, Andreas Heine, Eva Böttcher-Friebertshäuser, Torsten Steinmetzer
المصدر: European Journal of Medicinal Chemistry. 238:114437
مصطلحات موضوعية: Pharmacology, Structure-Activity Relationship, Serine Proteinase Inhibitors, Phenylalanine, Factor Xa, Serine Endopeptidases, Organic Chemistry, Drug Discovery, Influenza A Virus, H9N2 Subtype, Thrombin, General Medicine, Factor Xa Inhibitors
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المؤلفون: Els Pardon, Florent Chevillard, Cecilia Betti, Steven Ballet, Niek van Hilten, Peter Kolb, Wibke E. Diederich, Helena Rimmer, Jan Steyaert
المصدر: Journal of Medicinal Chemistry. 61:1118-1129
مصطلحات موضوعية: 0301 basic medicine, Chemistry, Drug discovery, In silico, Computational biology, 01 natural sciences, 0104 chemical sciences, β2 adrenergic receptor, 010404 medicinal & biomolecular chemistry, 03 medical and health sciences, 030104 developmental biology, Protein structure, Fragment (logic), Drug Discovery, Molecular Medicine, Structure–activity relationship, Binding site
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المؤلفون: Jan Steyaert, Florent Chevillard, Stanimira Hristeva, Els Pardon, Silvia Stotani, Dimitrios Tzalis, Anna Karawajczyk, Peter Kolb
المساهمون: Department of Bio-engineering Sciences, Structural Biology Brussels
المصدر: Proceedings of the National Academy of Sciences of the United States of America. 116(23)
مصطلحات موضوعية: forward synthetic libraries, Multidisciplinary, highly designed libraries, Novel protein, Chemistry, Ligand, parallel synthesis, Biological Sciences, Combinatorial chemistry, Chemical space, Time frame, De novo design, general, Docking (molecular), docking, Molecule
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::012f3387c2ec997a2c3caf04d179ceb0
https://pubmed.ncbi.nlm.nih.gov/31113876 -
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المؤلفون: Peter Kolb, Niek van Hilten, Florent Chevillard
المصدر: Journal of chemical information and modeling. 59(2)
مصطلحات موضوعية: Parsing, 010304 chemical physics, Computer science, Drug discovery, General Chemical Engineering, Cheminformatics, General Chemistry, Library and Information Sciences, computer.software_genre, 01 natural sciences, Popularity, Chemical space, 0104 chemical sciences, Computer Science Applications, World Wide Web, Small Molecule Libraries, 010404 medicinal & biomolecular chemistry, User-Computer Interface, 0103 physical sciences, Drug Discovery, Key (cryptography), computer
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المؤلفون: Florent, Chevillard, Helena, Rimmer, Cecilia, Betti, Els, Pardon, Steven, Ballet, Niek, van Hilten, Jan, Steyaert, Wibke E, Diederich, Peter, Kolb
المصدر: Journal of medicinal chemistry. 61(3)
مصطلحات موضوعية: Models, Molecular, Structure-Activity Relationship, Binding Sites, Protein Conformation, Drug Design, Computer Simulation, Receptors, Adrenergic, beta-2, Ligands, Amination
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المؤلفون: Steven Ballet, Toon Laeremans, Els Pardon, Peter Kolb, Karel Guillemyn, Cecilia Betti, Florent Chevillard, Jan Steyaert
المصدر: Angewandte Chemie (International ed. in English). 57(19)
مصطلحات موضوعية: Agonist, 0301 basic medicine, Cell signaling, Adrenergic Antagonists, medicine.drug_class, Catalysis, Receptors, G-Protein-Coupled, 03 medical and health sciences, 0302 clinical medicine, Drug Discovery, medicine, Inverse agonist, Humans, Receptor, G protein-coupled receptor, Reverse pharmacology, Dose-Response Relationship, Drug, Molecular Structure, Chemistry, Drug discovery, Antagonist, General Chemistry, General Medicine, Adrenergic Agonists, Nanostructures, 030104 developmental biology, Biophysics, 030217 neurology & neurosurgery
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المؤلفون: Peter Kolb, Florent Chevillard
المصدر: Journal of chemical information and modeling. 55(9)
مصطلحات موضوعية: Principal Component Analysis, Database, Databases, Factual, Computer science, General Chemical Engineering, General Chemistry, Library and Information Sciences, computer.software_genre, Computer Science Applications, Data set, Identification (information), Structure-Activity Relationship, Time frame, Drug Design, Drug Discovery, High likelihood, Data mining, computer, Algorithms
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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
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bfeaf09f48297c62805308cd306ccbf9
https://www.hal.inserm.fr/inserm-02146557/document
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