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المؤلفون: Parker L. Flanders, Carlos Contreras-Martel, Nathaniel W. Brown, Joshua D. Shirley, Alexandre Martins, Kelsie N. Nauta, Andréa Dessen, Erin E. Carlson, Elizabeth A. Ambrose
المساهمون: University of Minnesota, Minneapolis, USA, Institut de biologie structurale (IBS - UMR 5075), Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA), Grenoble Instruct-ERIC center (ISBG, UAR 3518 CNRS-CEA-UGA-EMBL), ANR-10-INBS-0005,FRISBI,Infrastructure Française pour la Biologie Structurale Intégrée(2010), ANR-17-EURE-0003,CBH-EUR-GS,CBH-EUR-GS(2017), ANR-10-LABX-0049,GRAL,Grenoble Alliance for Integrated Structural Cell Biology(2010)
المصدر: ACS Chemical Biology
ACS Chemical Biology, 2022, 17 (11), pp.3110-3120. ⟨10.1021/acschembio.2c00503⟩
ACS Chem Biolمصطلحات موضوعية: MESH: Penicillin-Binding Proteins, [SDV]Life Sciences [q-bio], General Medicine, Molecular Dynamics Simulation, beta-Lactams, Ligands, Biochemistry, Article, Anti-Bacterial Agents, Lactones, Streptococcus pneumoniae, Bacterial Proteins, MESH: beta-Lactams, MESH: Anti-Bacterial Agents, MESH: Ligands, Penicillin-Binding Proteins, Molecular Medicine, MESH: Molecular Dynamics Simulation, MESH: Bacterial Proteins, MESH: Lactones, MESH: Streptococcus pneumoniae
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2
المؤلفون: Franck Da Silva, Esther Kellenberger, Didier Rognan, Florian Koensgen
المساهمون: Laboratoire d'Innovation Thérapeutique (LIT), Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Institut de Chimie du CNRS (INC), Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)
المصدر: Journal of Chemical Information and Modeling
Journal of Chemical Information and Modeling, American Chemical Society, 2019, 59 (9), pp.3611-3618. ⟨10.1021/acs.jcim.9b00054⟩مصطلحات موضوعية: MESH: Ions, Protein Conformation, General Chemical Engineering, MESH: Receptors, G-Protein-Coupled, Computational biology, Molecular Dynamics Simulation, Library and Information Sciences, Receptors, G-Protein-Coupled, 03 medical and health sciences, Molecular dynamics, MESH: Protein Conformation, 0302 clinical medicine, Humans, MESH: Protein Binding, MESH: Molecular Dynamics Simulation, MESH: Hydrogen Bonding, Receptor, ComputingMilieux_MISCELLANEOUS, 030304 developmental biology, G protein-coupled receptor, Ions, 0303 health sciences, MESH: Humans, Chemistry, Hydrogen bond, Hydrogen Bonding, General Chemistry, Transmembrane protein, Computer Science Applications, Transmembrane domain, Intramolecular force, Helix, Receptors, Adrenergic, beta-2, MESH: Receptors, Adrenergic, beta-2, [CHIM.CHEM]Chemical Sciences/Cheminformatics, 030217 neurology & neurosurgery, Protein Binding
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المؤلفون: Carmen Gallego, Françoise Bachelerie, Françoise Baleux, Erika Cecon, Agnieszka Jaracz-Ros, Pasquale Cutolo, Angélique Levoye, Irina Kufareva, Guillaume Bernadat, Martin Gustavsson, Tracy M. Handel
المساهمون: Inflammation, microbiome, immunosurveillance (MI2), Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Paris-Saclay, Biomolécules : Conception, Isolement, Synthèse (BioCIS), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-CY Cergy Paris Université (CY), Skaggs School of Pharmacy and Pharmaceutical Sciences [San Diego], University of California [San Diego] (UC San Diego), University of California-University of California, Institut Cochin (IC UM3 (UMR 8104 / U1016)), Centre National de la Recherche Scientifique (CNRS)-Université Paris Descartes - Paris 5 (UPD5)-Institut National de la Santé et de la Recherche Médicale (INSERM), Chimie des Biomolécules - Chemistry of Biomolecules, Centre National de la Recherche Scientifique (CNRS)-Institut Pasteur [Paris], Paris-Centre de Recherche Cardiovasculaire (PARCC (UMR_S 970/ U970)), Hôpital Européen Georges Pompidou [APHP] (HEGP), Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Hôpitaux Universitaires Paris Ouest - Hôpitaux Universitaires Île de France Ouest (HUPO)-Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Hôpitaux Universitaires Paris Ouest - Hôpitaux Universitaires Île de France Ouest (HUPO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Paris (UP), Université Sorbonne Paris Nord, This work was supported by grants from Ensemble Contre le SIDA (SIDACTION), the Institut National de la Santé et de la Recherche Médicale (INSERM), GIS-Network for Rare Diseases and the Agence Nationale de Recherches sur le SIDA (ANRS). We thank members of the Dr. F. Arenzana-Seisdedos laboratory (Laboratoire de Pathogénie Virale, Institut Pasteur, Paris, France) and Dr. R. Jockers (Institut Cochin, Paris, France), who provided critical discussion. We also thank E. Trinquet, N. Gregor and F. Maurin (CisBio International, Marcoule, France) for technical support in HTRF assays. AL was supported by Roux postdoctoral fellowship from Pasteur Institute. I.K. and T.M.H. are supported by NIH R01 grants AI118985 and GM117424. C.G. was beneficiary of a fellowship from Marie Skłodowska-Curie Innovative Training Networks (ITN-ETN) 'ONCOgenic Receptor Network of Excellence and Training' (MSCA-ITN-2014-ETN) and from Fondation pour la Recherche Médicale (FDT201805005700). A.J-R., P.C., C.G., and F. Bachelerie are members of the LabEx LERMIT supported by ANR grant (ANR-10-LABX-33) under the program 'Investissements d'Avenir' (ANR-11-IDEX-0003-01)., ANR-11-IDEX-0003,IPS,Idex Paris-Saclay(2011), ANR-10-LABX-0033,LERMIT,Research Laboratory on Drugs and Therapeutic Innovation(2010), European Project: 641833,H2020,H2020-MSCA-ITN-2014,ONCORNET(2015), University of California (UC)-University of California (UC), Université Paris Descartes - Paris 5 (UPD5)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Institut Pasteur [Paris] (IP)-Centre National de la Recherche Scientifique (CNRS), Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Hôpitaux Universitaires Paris Ouest - Hôpitaux Universitaires Île de France Ouest (HUPO)-Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Hôpitaux Universitaires Paris Ouest - Hôpitaux Universitaires Île de France Ouest (HUPO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Paris Cité (UPCité), Baleux, Françoise, Idex Paris-Saclay - - IPS2011 - ANR-11-IDEX-0003 - IDEX - VALID, Research Laboratory on Drugs and Therapeutic Innovation - - LERMIT2010 - ANR-10-LABX-0033 - LABX - VALID, ONCOgenic Receptor Network of Excellence and Training - ONCORNET - - H20202015-01-01 - 2018-12-31 - 641833 - VALID
المصدر: Journal of Leukocyte Biology
Journal of Leukocyte Biology, Society for Leukocyte Biology, 2020, 107 (6), pp.1123-1135. ⟨10.1002/jlb.2ma0320-383rr⟩
J Leukoc Biol
Journal of Leukocyte Biology, 2020, 107 (6), pp.1123-1135. ⟨10.1002/jlb.2ma0320-383rr⟩
Journal of leukocyte biology, vol 107, iss 6مصطلحات موضوعية: 0301 basic medicine, Protein Conformation, alpha-Helical, ACKR3, Chemokine, Benzylamines, Protein Conformation, [SDV]Life Sciences [q-bio], Gene Expression, pluridimensional efficacy Receptors, MESH: Amino Acid Sequence, Cyclams, CXCR4, MESH: Recombinant Proteins, Chemokine receptor, 0302 clinical medicine, Heterocyclic Compounds, GPCR signaling, Receptors, Cyclic AMP, 2.1 Biological and endogenous factors, Immunology and Allergy, MESH: Molecular Dynamics Simulation, Aetiology, CXCR, Receptor, beta-Arrestins, MESH: Cyclic AMP, biology, MESH: Receptors, CXCR, CXCL12, Recombinant Proteins, Cell biology, [SDV] Life Sciences [q-bio], pluridimensional efficacy, 030220 oncology & carcinogenesis, MESH: HEK293 Cells, embryonic structures, MESH: Oligopeptides, MESH: Protein Conformation, beta-Strand, biological phenomena, cell phenomena, and immunity, MESH: Chemokine CXCL12, Selectivity, chemokine variants, MESH: Chemokine CXCL11, Oligopeptides, Biotechnology, Protein Binding, Agonist, Receptors, CXCR4, MESH: Mutation, MESH: Gene Expression, MESH: Heterocyclic Compounds, medicine.drug_class, Signal Transduction and Genes, 1.1 Normal biological development and functioning, Immunology, Molecular Dynamics Simulation, Article, MESH: Receptors, CXCR4, GPCR Signaling, Vaccine Related, 03 medical and health sciences, MESH: beta-Arrestins, Underpinning research, Biodefense, medicine, Humans, MESH: Protein Binding, Protein Interaction Domains and Motifs, Amino Acid Sequence, Receptors, CXCR, MESH: Protein Conformation, alpha-Helical, MESH: Protein Interaction Domains and Motifs, Binding Sites, MESH: Humans, Prevention, alpha-Helical, Cell Biology, biological factors, Chemokine CXCL12, Chemokine CXCL11, Emerging Infectious Diseases, 030104 developmental biology, HEK293 Cells, MESH: Binding Sites, Mutation, biology.protein, beta-Strand, Protein Conformation, beta-Strand, Biochemistry and Cell Biology
وصف الملف: application/pdf
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المؤلفون: Marcel Hollenstein, Patrick Weber, Ariel E. Mechaly, Ahmed Haouz, Pascal Röthlisberger, Fabienne Levi-Acobas, G. Paul Savage, Young Lo, Alvin W C Wong, Julian A. Tanner, Yee-Wai Cheung, AB Kinghorn
المساهمون: The University of Hong Kong (HKU), Chimie bioorganique des acides nucléiques - Bioorganic chemistry of nucleic acids, Institut Pasteur [Paris]-Centre National de la Recherche Scientifique (CNRS), Cristallographie (Plateforme) - Crystallography (Platform), Division of Manufacturing Science and Technology (CSIRO), Commonwealth Scientific and Industrial Research Organisation [Canberra] (CSIRO), Institut Pasteur [Paris] (IP)-Centre National de la Recherche Scientifique (CNRS)
المصدر: Proc Natl Acad Sci U S A
Proceedings of the National Academy of Sciences of the United States of America
Proceedings of the National Academy of Sciences of the United States of America, National Academy of Sciences, 2020, 117 (29), pp.16790-16798. ⟨10.1073/pnas.2003267117⟩
Proceedings of the National Academy of Sciences of the United States of America, 2020, 117 (29), pp.16790-16798. ⟨10.1073/pnas.2003267117⟩مصطلحات موضوعية: M.H, Plasmodium vivax, MESH: Aptamers, Nucleotide, Protozoan Proteins, MESH: Molecular Diagnostic Techniques, 01 natural sciences, malaria diagnosis, Nucleotide, MESH: Molecular Dynamics Simulation, MESH: Protozoan Proteins, chemistry.chemical_classification, modified aptamer, 0303 health sciences, Multidisciplinary, biology, Hydrogen bond, SELEX, Y.W.C. and P.R. were responsible, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Aptamers, Nucleotide, 3. Good health, MESH: Plasmodium vivax, Molecular Diagnostic Techniques, Physical Sciences, Protein Binding, MESH: L-Lactate Dehydrogenase, Aptamer, MESH: Malaria, Computational biology, Molecular Dynamics Simulation, 010402 general chemistry, 03 medical and health sciences, cubane, parasitic diseases, MESH: Protein Binding, [CHIM]Chemical Sciences, Humans, MESH: Hydrogen Bonding, 030304 developmental biology, X-ray crystallography, MESH: Humans, L-Lactate Dehydrogenase, Mechanism (biology), Plasmodium falciparum, Hydrogen Bonding, biology.organism_classification, 0104 chemical sciences, Malaria, chemistry, Nucleic acid, MESH: Biomarkers, malaria diagnosis Author Contributions J.A.T, Systematic evolution of ligands by exponential enrichment, Biomarkers
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fdffd90d6dacf4d61f52342b6cd179ac
https://pubmed.ncbi.nlm.nih.gov/32631977 -
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المؤلفون: Várnai, Csilla, Irwin, BWJ, Payne, MC, Csányi, Gábor, Chau, P-L
المساهمون: University of Birmingham [Birmingham], University of Cambridge [UK] (CAM), Bioinformatique structurale - Structural Bioinformatics, Institut Pasteur [Paris]-Centre National de la Recherche Scientifique (CNRS), Some of the simulations in this work were carried out on the Darwin Supercomputer of the University of Cambridge High Performance Computing Service using Strategic Research Infrastructure Funding from the Higher Education Funding Council for England, and other simulations were performed using resources provided by the Cambridge Service for Data Driven Discovery (CSD3) operated by the University of Cambridge Research Computing Service, provided by Dell EMC and Intel using Tier-2 funding from the Engineering and Physical Sciences Research Council (capital grant EP/P020259/1), and DiRAC funding from the Science and Technology Facilities Council. BWJI acknowledges financial support from the UK Engineering and Physical Sciences Research Council Centre for Doctoral Training in Computational Methods for Materials Science under Grant No. EP/L015552/1. PC was partly supported by the INCEPTION project ANR-16-CONV-0005., ANR-16-CONV-0005,INCEPTION,Institut Convergences pour l'étude de l'Emergence des Pathologies au Travers des Individus et des populatiONs(2016), Institut Pasteur [Paris] (IP)-Centre National de la Recherche Scientifique (CNRS), Várnai, Csilla [0000-0003-0048-9507], Irwin, BWJ [0000-0001-5102-7439], Payne, MC [0000-0002-5250-8549], Csányi, Gábor [0000-0002-8180-2034], Chau, P-L [0000-0003-3614-1561], Apollo - University of Cambridge Repository
المصدر: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (28), pp.16023-16031. ⟨10.1039/d0cp01128b⟩
Physical Chemistry Chemical Physics, 2020, 22 (28), pp.16023-16031. ⟨10.1039/d0cp01128b⟩مصطلحات موضوعية: Agonist, medicine.drug_class, Protein Conformation, Monte Carlo method, General Physics and Astronomy, Gating, Type (model theory), MESH: Monte Carlo Method, Molecular Dynamics Simulation, GABA binding, 03 medical and health sciences, 0302 clinical medicine, MESH: Protein Conformation, medicine, Humans, MESH: Molecular Dynamics Simulation, Physical and Theoretical Chemistry, Receptor, MESH: Receptors, GABA-A, Ion channel, 030304 developmental biology, [PHYS]Physics [physics], 0303 health sciences, MESH: Humans, Binding Sites, Chemistry, Receptors, GABA-A, MESH: Binding Sites, Biophysics, Parallel tempering, Monte Carlo Method, 030217 neurology & neurosurgery
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::deee5a74bbc094aa9ea3929a4f0332c0
https://pubmed.ncbi.nlm.nih.gov/32633279 -
6
المؤلفون: Amale, Bousfiha, Zied, Riahi, Lamiae, Elkhattabi, Amina, Bakhchane, Hicham, Charoute, Khalid, Snoussi, Crystel, Bonnet, Christine, Petit, Abdelhamid, Barakat
المساهمون: Institut Pasteur du Maroc, Réseau International des Instituts Pasteur (RIIP), Université Hassan II [Casablanca] (UH2MC), Institut de la Vision, Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Génétique et Physiologie de l'Audition, Institut Pasteur [Paris] (IP)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Sorbonne Université (SU), Collège de France - Chaire Génétique et physiologie cellulaire, Collège de France (CdF (institution)), Institut Pasteur [Paris]-Institut National de la Santé et de la Recherche Médicale (INSERM)-Sorbonne Université (SU), Chaire Génétique et physiologie cellulaire
المصدر: Human Heredity
Human Heredity, 2020, 84 (3), pp.109-116. ⟨10.1159/000503450⟩
Human Heredity, Karger, 2020, 84 (3), pp.109-116. ⟨10.1159/000503450⟩مصطلحات موضوعية: MET gene, MESH: Pedigree, Hearing Loss, Sensorineural, [SDV]Life Sciences [q-bio], Mutation, Missense, MESH: Proto-Oncogene Proteins c-met, Molecular Dynamics Simulation, Consanguinity, MESH: Child, otorhinolaryngologic diseases, Humans, MESH: Molecular Dynamics Simulation, HGFR gene, Child, MESH: Consanguinity, MESH: Mutation, Missense, MESH: Humans, Whole Genome Sequencing, Hearing loss, Proto-Oncogene Proteins c-met, Pedigree, Moroccan family, MESH: Hearing Loss, Sensorineural, Mutation, Female, MESH: Female, MESH: Whole Genome Sequencing
URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid_dedup__::e9640f2dacedd7ba42d79ba0a238b941
https://hal-pasteur.archives-ouvertes.fr/pasteur-03219615 -
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المساهمون: Molecular Biophysics Unit [Bangalore, India] (MBU), Indian Institute of Science, Biologie Intégrée du Globule Rouge (BIGR (UMR_S_1134 / U1134)), Institut National de la Transfusion Sanguine [Paris] (INTS)-Université de La Réunion (UR)-Institut National de la Santé et de la Recherche Médicale (INSERM)-CHU Pointe-à-Pitre/Abymes [Guadeloupe] -Université des Antilles (UA)-Université Paris Cité (UPCité), Institut National de la Transfusion Sanguine [Paris] (INTS), Indo-French Centre for the Promotion of Advanced Research / CEFIPRA for collaborative grant (number 5302-2), DBT-COE, Ministry of Human Resource Development, DST-FIST, UGC Center for Advanced Study, Bioinformatics and Computational Biology centre support from DBT, DBT-IISc Partnership Program, ANR-18-IDEX-0001, ANR-11- LABX-0051, ANR-11-IDEX- 0005-02, de Brevern, Alexandre G.
المصدر: Structure
Structure, Elsevier (Cell Press), 2021, 29 (4), pp.371-384.e3. ⟨10.1016/j.str.2020.11.015⟩مصطلحات موضوعية: Association (object-oriented programming), [SDV]Life Sciences [q-bio], Allosteric regulation, protein-protein interactions, Molecular Dynamics Simulation, MESH: Deoxyribonucleases, Type I Site-Specific, Protein–protein interaction, functional analysis, 03 medical and health sciences, Protein structure, Structural Biology, Protein Interaction Mapping, MESH: Protein Binding, Humans, MESH: Molecular Dynamics Simulation, protein structure, skin and connective tissue diseases, MESH: Allosteric Site, Molecular Biology, 030304 developmental biology, 0303 health sciences, allostery, MESH: Humans, Chemistry, Protein dynamics, MESH: Cyclophilin A, 030302 biochemistry & molecular biology, Dynamics (mechanics), MESH: Protein Interaction Mapping, Deoxyribonucleases, Type I Site-Specific, bioinformatics, Protein tertiary structure, [SDV] Life Sciences [q-bio], Structural change, normal mode analysis, protein dynamics, Biophysics, sense organs, Cyclophilin A, Allosteric Site, Protein Binding
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1cf16d0a5f884b5bcd9ff0a578b2e7b6
https://pubmed.ncbi.nlm.nih.gov/33306961 -
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المؤلفون: Manfred Jung, Karin Schmidtkunz, Elizabeth R Morales, Stefan Günther, Wolfgang Sippl, Martin Hügle, Frank Erdmann, Patrik Zeyen, Ehab Ghazy, Dina Robaa, Christophe Romier, Matthias Schmidt, Daniel Herp
المساهمون: Martin-Luther-Universität Halle Wittenberg (MLU), Albert-Ludwigs-Universität Freiburg, Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), Université de Strasbourg (UNISTRA)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Romier, Christophe
المصدر: European Journal of Medicinal Chemistry
European Journal of Medicinal Chemistry, 2020, 200, pp.112338. ⟨10.1016/j.ejmech.2020.112338⟩
European Journal of Medicinal Chemistry, Elsevier, 2020, 200, pp.112338. ⟨10.1016/j.ejmech.2020.112338⟩مصطلحات موضوعية: Bromodomain, [CHIM.THER]Chemical Sciences/Medicinal Chemistry, MESH: Drug Design, Histone Deacetylase 6, 01 natural sciences, MESH: Structure-Activity Relationship, Drug Discovery, MESH: Molecular Dynamics Simulation, MESH: Histone Deacetylase Inhibitors, 0303 health sciences, biology, Chemistry, Acetylation, General Medicine, Hydroxamic acids, 3. Good health, Cell biology, DNA-Binding Proteins, Molecular Docking Simulation, Leukemia, Myeloid, Acute, Histone, MESH: Repressor Proteins, Epigenetics, MESH: Leukemia, Myeloid, Acute, MESH: Acetylation, MESH: Cell Line, Tumor, [SDV.SP.MED] Life Sciences [q-bio]/Pharmaceutical sciences/Medication, [CHIM.THER] Chemical Sciences/Medicinal Chemistry, Antineoplastic Agents, [SDV.CAN]Life Sciences [q-bio]/Cancer, Molecular Dynamics Simulation, Histone Deacetylases, 03 medical and health sciences, Structure-Activity Relationship, [SDV.SP.MED]Life Sciences [q-bio]/Pharmaceutical sciences/Medication, [SDV.CAN] Life Sciences [q-bio]/Cancer, Cell Line, Tumor, MESH: Molecular Docking Simulation, Humans, Dual targeting inhibitors, 030304 developmental biology, Adaptor Proteins, Signal Transducing, MESH: Adaptor Proteins, Signal Transducing, Pharmacology, Acute myeloid leukemia, MESH: Humans, 010405 organic chemistry, Organic Chemistry, HDAC8, HDAC6, 0104 chemical sciences, Histone Deacetylase Inhibitors, Repressor Proteins, MESH: Histone Deacetylases, Docking (molecular), PHD finger, BRPF1, Drug Design, biology.protein, MESH: Antineoplastic Agents, MESH: Histone Deacetylase 6, MESH: DNA-Binding Proteins
وصف الملف: application/pdf
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المؤلفون: Laurent Blanchoin, Glen M. Hocky, Gregory A. Voth, Jean Louis Martiel, Anthony C. Schramm, Enrique M. De La Cruz
المساهمون: Department of Molecular Biophysics and Biochemistry, Yale University [New Haven], James Franck Institute, University of Chicago, Physiologie cellulaire et végétale (LPCV), Institut National de la Recherche Agronomique (INRA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Dynamique Cellulaire et Tissulaire- Interdisciplinarité, Modèles & Microscopies (TIMC-IMAG-DyCTiM), Techniques de l'Ingénierie Médicale et de la Complexité - Informatique, Mathématiques et Applications, Grenoble - UMR 5525 (TIMC-IMAG), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-VetAgro Sup - Institut national d'enseignement supérieur et de recherche en alimentation, santé animale, sciences agronomiques et de l'environnement (VAS)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), National Institutes of Health (NIH) through grant R01-GM097348, Department of Defense Army Research Office through Multidisciplinary University Research Initiative (MURI) grant W911NF1410403, Ruth L. Kirschstein National Research Service Award (National Institute of General Medical Sciences (NIGMS), F32 GM11345-01), ANR-14-CE11-0003,MaxForce,Maximiser la production de force: de la molécule au tissu(2014), Dynamiques Cellulaire et Tissulaire - Interdisciplinarité, Modélisation & Microscopie (TIMC-IMAG-DyCTiM2), Institut National de la Recherche Agronomique (INRA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP)-IMAG-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP)-IMAG-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA), ANR-14-CE11-0003-01,MaxForce, Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Centre National de la Recherche Scientifique (CNRS)-Institut National de la Recherche Agronomique (INRA)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG)
المصدر: Biophysical Journal
Biophysical Journal, Biophysical Society, 2017, 112 (12), pp.2624-2633. ⟨10.1016/j.bpj.2017.05.016⟩
Biophysical Journal, 2017, 112 (12), pp.2624-2633. ⟨10.1016/j.bpj.2017.05.016⟩
Biophysical Journal, Biophysical Society, 2017, 112 (12), pp.2624-2633مصطلحات موضوعية: 0301 basic medicine, Cofilin severing, Rotation, [SDV]Life Sciences [q-bio], cofilactin, Biophysics, Mechanical properties, [SDV.BC]Life Sciences [q-bio]/Cellular Biology, macromolecular substances, Molecular Dynamics Simulation, MESH: Actins, Quantitative Biology::Cell Behavior, Quantitative Biology::Subcellular Processes, Protein filament, 03 medical and health sciences, Molecular dynamics, MESH: Rotation, MESH: Actin Depolymerizing Factors, Actin filament dynamics, MESH: Protein Binding, Molecular Machines, Motors, and Nanoscale Biophysics, MESH: Molecular Dynamics Simulation, Actin-binding protein, Cytoskeleton, Actin, biology, Chemistry, Computational model, Cryoelectron Microscopy, Elastic energy, Actin binding protein, Cofilin, Actin cytoskeleton, Actins, Elasticity, Actin Cytoskeleton, Crystallography, 030104 developmental biology, Actin Depolymerizing Factors, MESH: Elasticity, biology.protein, MESH: Cryoelectron Microscopy, MESH: Actin Cytoskeleton, Protein Binding
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المؤلفون: Malgorzata N. Drwal, Esther Kellenberger, Célien Jacquemard, Didier Rognan, Viet-Khoa Tran-Nguyen
المساهمون: Laboratoire d'Innovation Thérapeutique (LIT), Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Institut de Chimie du CNRS (INC), Institut Gilbert-Laustriat : Biomolécules, Biotechnologie, Innovation Thérapeutique, Centre National de la Recherche Scientifique (CNRS)
المصدر: Molecules
Molecules, MDPI, 2019, 24 (14), ⟨10.3390/molecules24142610⟩
Volume 24
Issue 14
Molecules, MDPI, 2019, 24 (14), pp.2610. ⟨10.3390/molecules24142610⟩
Molecules, Vol 24, Iss 14, p 2610 (2019)مصطلحات موضوعية: Computer science, Drug Evaluation, Preclinical, Molecular Conformation, Pharmaceutical Science, computer.software_genre, Crystallography, X-Ray, Ligands, 01 natural sciences, Analytical Chemistry, Software, Drug Discovery, MESH: Ligands, MESH: Proteins, MESH: Molecular Dynamics Simulation, benchmarking, 0303 health sciences, A protein, Molecular Docking Simulation, MESH: Reproducibility of Results, Chemistry (miscellaneous), Molecular Medicine, MESH: Drug Evaluation, Preclinical, Pose prediction, Data mining, PubChem, Algorithms, [CHIM.CHEM]Chemical Sciences/Cheminformatics, Protein Binding, MESH: Algorithms, Molecular Dynamics Simulation, Article, lcsh:QD241-441, 03 medical and health sciences, lcsh:Organic chemistry, MESH: Molecular Docking Simulation, Humans, MESH: Protein Binding, Physical and Theoretical Chemistry, 030304 developmental biology, Virtual screening, MESH: Molecular Conformation, Binding Sites, MESH: Humans, business.industry, Organic Chemistry, scoring, Proteins, Reproducibility of Results, MESH: ROC Curve, MESH: Crystallography, X-Ray, 0104 chemical sciences, body regions, 010404 medicinal & biomolecular chemistry, ROC Curve, MESH: Binding Sites, Docking (molecular), business, Merge (version control), computer, protein ligand interaction
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