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1دورية أكاديمية
المؤلفون: Landys Lopez Quezada, Sandra Silve, Mark Kelinske, Amir Liba, Constantino Diaz Gonzalez, Martin Kotev, Laurent Goullieux, Stephanie Sans, Christine Roubert, Sophie Lagrange, Eric Bacqué, Cedric Couturier, Alain Pellet, Isabelle Blanc, Marlène Ferron, Fabrice Debu, Kelin Li, Jeffrey Aubé, Julia Roberts, David Little, Yan Ling, Jun Zhang, Ben Gold, Carl Nathan
المصدر: mBio, Vol 10, Iss 4 (2019)
مصطلحات موضوعية: CorA, magnesium, mycobacterium, tuberculosis, Microbiology, QR1-502
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2150-7511
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2
المصدر: Journal of Computer-Aided Molecular Design. 35:1195-1206
مصطلحات موضوعية: Virtual screening, Binding Sites, business.industry, Computer science, Process (engineering), Molecular Conformation, Proteins, Ligands, Supercomputer, computer.software_genre, Automation, Computer Science Applications, Molecular Docking Simulation, Workflow, Docking (molecular), Test set, Drug Discovery, Data mining, Physical and Theoretical Chemistry, business, Protocol (object-oriented programming), computer, Algorithms, Protein Binding
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3
المؤلفون: Martin, Kotev, Laurie, Sarrat, Constantino Diaz, Gonzalez
المصدر: Methods in molecular biology (Clifton, N.J.). 2114
مصطلحات موضوعية: Binding Sites, Pharmaceutical Preparations, Drug Design, Drug Discovery, Quantum Theory, Ligands, Algorithms
URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::32581c98d564b94af0d4c382ac7b7360
https://pubmed.ncbi.nlm.nih.gov/32016897 -
4
المؤلفون: Constantino Diaz Gonzalez, Martin Kotev, Laurie Sarrat
المصدر: Methods in Molecular Biology ISBN: 9781071602812
مصطلحات موضوعية: Quantitative structure–activity relationship, Virtual screening, Reaction mechanism, 010304 chemical physics, Computer science, Drug discovery, Ligand, Metal ions in aqueous solution, Hit to lead, Prodrug, 010402 general chemistry, Ligand (biochemistry), 01 natural sciences, Chemical reaction, 0104 chemical sciences, Enzyme catalysis, QM/MM, Molecular dynamics, Covalent bond, Molecular descriptor, Quantum mechanics, 0103 physical sciences, Binding site
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e15b7733352459865fd19eb9ac4dbe2e
https://doi.org/10.1007/978-1-0716-0282-9_15 -
5
المؤلفون: Carmen Almansa, Victor Guallar, Martin Kotev, Rosalia Pascual, Robert Soliva
المساهمون: Barcelona Supercomputing Center
المصدر: UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
Recercat. Dipósit de la Recerca de Catalunya
instnameمصطلحات موضوعية: PELE, 0301 basic medicine, Protein-protein interactions, General Chemical Engineering, Protein subunit, In silico, Pregabalin, Computational biology, Plasma protein binding, Library and Information Sciences, Ca+2 channel, 01 natural sciences, Molecular Docking Simulation, 03 medical and health sciences, Molecular models, 0103 physical sciences, medicine, Binding site, Induced fit, 010304 chemical physics, Chemistry, Drug discovery, Ligand, Enginyeria biomèdica [Àrees temàtiques de la UPC], General Chemistry, Proteïnes--Investigació, α2δ−1 subunit, Computer Science Applications, Cryo electron microscopy, 030104 developmental biology, Structure-based drug design, Gabapentin, medicine.drug
وصف الملف: application/pdf
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6
المؤلفون: Amir Liba, Jeffrey Aubé, Yan Ling, Eric Bacqué, Constantino Diaz Gonzalez, Fabrice Debu, David Little, Kelin Li, Landys Lopez Quezada, Stéphanie Sans, Julia Roberts, Isabelle Le Blanc, Cedric Couturier, Alain Pellet, Sophie Lagrange, Laurent Goullieux, Sandra Silve, Mark Lee Kelinske, Ben Gold, Carl Nathan, Marlène Ferron, Martin Kotev, Christine Roubert, Jun Zhang
المصدر: mBio, Vol 10, Iss 4, p e01405-19 (2019)
mBio, Vol 10, Iss 4 (2019)
mBioمصطلحات موضوعية: DNA Replication, Molecular Biology and Physiology, Tuberculosis, medicine.drug_class, Antibiotics, Antitubercular Agents, magnesium, Antimycobacterial, Microbiology, mycobacterium, Mycobacterium tuberculosis, 03 medical and health sciences, Virology, medicine, Homeostasis, Mode of action, Cation Transport Proteins, 030304 developmental biology, 0303 health sciences, biology, 030306 microbiology, Chemistry, cora, biology.organism_classification, medicine.disease, QR1-502, Mechanism of action, tuberculosis, Mutation, medicine.symptom, Bacteria, Research Article, Mycobacterium
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b96da59e92a39623c932102d71216b3d
https://doaj.org/article/e35ba3238a254970bc348f474dae2e6c -
7
المؤلفون: Victor Guallar, Abraham Lopez, Oscar Millet, Fátima Herranz-Trillo, Pau Bernadó, Ernest Giralt, Margarida Gairí, Teresa Tarragó, Martin Kotev
المساهمون: Universitat de Barcelona, Barcelona Supercomputing Center
المصدر: Recercat. Dipósit de la Recerca de Catalunya
instname
Dipòsit Digital de la UB
Universidad de Barcelona
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)مصطلحات موضوعية: 0301 basic medicine, Swine, Stereochemistry, Oligopeptidase, Molecular Dynamics Simulation, Espectroscòpia de ressonància magnètica nuclear, 010402 general chemistry, 01 natural sciences, Biochemistry, Protein–protein interaction, 03 medical and health sciences, X-Ray Diffraction, Proteïnes--Anàlisi, Catalytic Domain, Scattering, Small Angle, Animals, Humans, Protein Interaction Domains and Motifs, Enzyme Inhibitors, Nuclear Magnetic Resonance, Biomolecular, Molecular Biology, Nuclear magnetic resonance spectroscopy, chemistry.chemical_classification, biology, Small-angle X-ray scattering, Protein dynamics, Serine Endopeptidases, Enginyeria biomèdica [Àrees temàtiques de la UPC], Organic Chemistry, Prolyl oligopeptidase (POP), Proteins, Active site, 0104 chemical sciences, 030104 developmental biology, Enzyme, chemistry, Structural biology, biology.protein, Molecular Medicine, Proteins--Analysis, Protein–protein interactions (PPIs), Prolyl Oligopeptidases, Proteïnes
وصف الملف: application/pdf
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المصدر: Journal of chemical information and modeling. 58(8)
مصطلحات موضوعية: Molecular Docking Simulation, Analgesics, Binding Sites, Cryoelectron Microscopy, Pregabalin, Humans, Calcium Channels, Gabapentin, Molecular Dynamics Simulation, Ligands, Algorithms, Protein Binding
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المؤلفون: Victor Guallar, Pilar Manuel-Manresa, Roberto Quesada, Modesto Orozco, Ricardo Pérez-Tomás, Vanessa Soto-Cerrato, Elsa Hernando, Martin Kotev
المصدر: Repositorio Institucional de la Universidad de Burgos (RIUBU)
instname
Dipòsit Digital de la UB
Universidad de Barcelonaمصطلحات موضوعية: 0301 basic medicine, Molecular model, General Chemical Engineering, Chemistry, Organic, macromolecular substances, Library and Information Sciences, 03 medical and health sciences, chemistry.chemical_compound, Human beings, Inhibition, chemistry.chemical_classification, Adjuvant treatment of cancer, biology, EZH2, Active site, Química orgánica, General Chemistry, Molecular biology, In vitro, Computer Science Applications, 030104 developmental biology, Histone, Enzyme, Biochemistry, chemistry, Inhibició, Cancer cell, biology.protein, Tambjamine, Home, Tractament adjuvant del càncer
وصف الملف: application/pdf
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10
المؤلفون: Martin Kotev, Robert Soliva, Modesto Orozco
المساهمون: Barcelona Supercomputing Center, Universitat de Barcelona
المصدر: Recercat. Dipósit de la Recerca de Catalunya
instname
Dipòsit Digital de la UB
Universidad de Barcelona
Bioorganic & Medicinal Chemistry
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)مصطلحات موضوعية: 0301 basic medicine, Simulations, Stereochemistry, Soluble Epoxide Hydrolase, Clinical Biochemistry, Fixació de proteïnes, Molecular association, Pharmaceutical Science, Nanotechnology, Ligands, Benchmark, 01 natural sciences, Biochemistry, Small Molecule Libraries, 03 medical and health sciences, 0103 physical sciences, Drug Discovery, Humans, Protein binding, Binding site, Molecular Biology, Simulació, Mètodes de, Epoxide Hydrolases, Binding Sites, 010304 chemical physics, Molecular Structure, Chemistry, Induced-fit docking, Organic Chemistry, Enginyeria biomèdica [Àrees temàtiques de la UPC], Solvation, Ligands (Biochemistry), Lligands (Bioquímica), Proteïnes--Investigació, Small molecule, Associació molecular, Molecular Docking Simulation, 030104 developmental biology, PELE simulations, Docking (molecular), Searching the conformational space for docking, Molecular Medicine, Target protein
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85a50dd51525f965b5e0041c895570de
https://hdl.handle.net/2117/90906