المؤلفون: Dawid Warszycki, Ruben Abagyan, Grzegorz Satała, Zdzisław Chilmonczyk, Kurt Kristiansen, Stefan Mordalski, Krzysztof Rataj, Andrzej J. Bojarski, Ingebrigt Sylte, Manuel Rueda

المصدر: Journal of Chemical Information and Modeling. 57:311-321

مصطلحات موضوعية: 0301 basic medicine, Protein Conformation, Stereochemistry, General Chemical Engineering, Drug Evaluation, Preclinical, Computational biology, Library and Information Sciences, Biology, Crystallography, X-Ray, Ligands, Article, 03 medical and health sciences, Serotonin 1A Receptor, Humans, General Chemistry, Computer Science Applications, Molecular Docking Simulation, HEK293 Cells, 030104 developmental biology, Template, Structural Homology, Protein, Docking (molecular), Receptor, Serotonin, 5-HT1A, 5-HT1A receptor, Monte Carlo Method, Protein Binding

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb54efd1629151ace84c6ce1977c30c0Test
https://doi.org/10.1021/acs.jcim.6b00263Test

المؤلفون: Maxim Totrov, Ruben Abagyan, Manuel Rueda

المصدر: Journal of Chemical Information and Modeling. 52:2705-2714

مصطلحات موضوعية: Protein Conformation, General Chemical Engineering, Monte Carlo method, Library and Information Sciences, Crystallography, X-Ray, Ligands, Molecular Docking Simulation, Article, Small Molecule Libraries, Protein structure, Computational chemistry, Combinatorial search, Virtual screening, Binding Sites, Chemistry, Estrogen Receptor alpha, General Chemistry, Ligand (biochemistry), Computer Science Applications, Docking (molecular), Searching the conformational space for docking, Drug Design, Thermodynamics, Monte Carlo Method, Algorithm, Algorithms, Protein Binding

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ad926c56b66cd07a1990484a6d84ce4Test
https://doi.org/10.1021/ci3001088Test

المؤلفون: Giovanni Bottegoni, Ruben Abagyan, Manuel Rueda

المصدر: Journal of Chemical Information and Modeling. 49:716-725

مصطلحات موضوعية: Binding Sites, Protein Conformation, Chemistry, General Chemical Engineering, Proteins, General Chemistry, Library and Information Sciences, Article, Computer Science Applications, Crystallography, Protein structure, Normal mode, Searching the conformational space for docking, Docking (molecular), Calibration, Side chain, Cross-docking, Binding site, Biological system, Conformational isomerism

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a6b731727bb5f4bc01d546a04f9fcc1Test
https://doi.org/10.1021/ci8003732Test

المؤلفون: Jordi Camps, Josep Lluís Gelpí, Modesto Orozco, Alberto Perez, Carles Ferrer-Costa, Tim Meyer, Manuel Rueda

المصدر: Proceedings of the National Academy of Sciences. 104:796-801

مصطلحات موضوعية: Models, Molecular, Protein Folding, Multidisciplinary, OPLS, Protein Conformation, Chemistry, Protein dynamics, Computational Biology, Proteins, Crystallography, X-Ray, Molecular dynamics, Protein structure, Computational chemistry, Physical Sciences, Computer Simulation, Protein folding, Statistical physics, Nuclear Magnetic Resonance, Biomolecular, Protein Binding

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bd237808bd21281fb3dd4fd066b1a359Test
https://doi.org/10.1073/pnas.0605534104Test

المؤلفون: Vsevolod, Katritch, Manuel, Rueda, Ruben, Abagyan

المصدر: Methods in molecular biology (Clifton, N.J.). 857

مصطلحات موضوعية: Models, Molecular, Binding Sites, Protein Conformation, Structural Homology, Protein, Drug Design, Humans, Proteins, Ligands, Monte Carlo Method, Algorithms, Protein Binding

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=pmid________::145c5a01fdffcde67ddf065fa7a508cbTest
https://pubmed.ncbi.nlm.nih.gov/22323222Test

المؤلفون: Amelie Stein, Manuel Rueda, Modesto Orozco, Alejandro Panjkovich, Patrick Aloy

المصدر: Structure (London, England : 1993). 19(6)

مصطلحات موضوعية: Chemistry, Protein Conformation, Association (object-oriented programming), Protein domain, Proteins, Plasma protein binding, Molecular Dynamics Simulation, Crystallography, Structural biology, Structural Biology, Protein Interaction Networks, Protein Interaction Mapping, Biophysics, Thermodynamics, Protein Interaction Domains and Motifs, Molecular Biology, Protein Binding

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8695b78bbd4ac4762bfb31b52928eafTest
https://pubmed.ncbi.nlm.nih.gov/21645858Test

المؤلفون: Tim Meyer, Marco D'Abramo, Adam Hospital, Manuel Rueda, Carles Ferrer-Costa, Alberto Pérez, Oliver Carrillo, Jordi Camps, Carles Fenollosa, Dmitry Repchevsky, Josep Lluis Gelpí, Modesto Orozco

المصدر: Structure

مصطلحات موضوعية: Models, Molecular, Web server, Computer science, Protein Conformation, Protein Data Bank (RCSB PDB), Molecular Dynamics Simulation, computer.software_genre, 01 natural sciences, 03 medical and health sciences, Molecular dynamics, Protein structure, Structural Biology, 0103 physical sciences, Data Mining, Databases, Protein, Molecular Biology, 030304 developmental biology, 0303 health sciences, Internet, 010304 chemical physics, Database, computer.file_format, Protein Data Bank, Data warehouse, Solvents, computer, Software

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a117d2b288181113afe7c808b5b5dd24Test
https://pubmed.ncbi.nlm.nih.gov/21070939Test

المؤلفون: Ruben Abagyan, Manuel Rueda, Giovanni Bottegoni

مصطلحات موضوعية: Virtual screening, Stereochemistry, Chemistry, Protein Conformation, General Chemical Engineering, High selectivity, Drug Evaluation, Preclinical, Proteins, General Chemistry, Library and Information Sciences, Ligands, Small molecule, Article, Computer Science Applications, Benchmarking, User-Computer Interface, Protein structure, Protein–ligand docking, Computational chemistry, Docking (molecular), Searching the conformational space for docking, Area Under Curve, Databases, Protein, Conformational isomerism

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c33bab538d31a088fb4c7312e63c98cTest
https://hdl.handle.net/11576/2688462Test

المؤلفون: Ruben Abagyan, Manuel Rueda, Eugene Raush, Vsevolod Katritch

المصدر: Bioinformatics. 26:2784-2785

مصطلحات موضوعية: Statistics and Probability, Web server, Theoretical computer science, Protein Conformation, Computer science, 030303 biophysics, Ligands, computer.software_genre, Biochemistry, Web tool, Computational science, 03 medical and health sciences, Software, Text mining, Computer Graphics, Molecular symmetry, Graphics, Databases, Protein, Molecular Biology, 030304 developmental biology, Internet, 0303 health sciences, business.industry, Proteins, 3. Good health, Computer Science Applications, Applications Note, Computational Mathematics, Identification (information), Computational Theory and Mathematics, business, computer, Protein ligand

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e3f0ea6a936d6235bb71791d32f39456Test
https://doi.org/10.1093/bioinformatics/btq504Test

المؤلفون: Giovanni Bottegoni, Ruben Abagyan, Walter Rocchia, Andrea Cavalli, Manuel Rueda

المساهمون: Bottegoni G., Rocchia W., Rueda M., Abgyan R., Cavalli A, Gasset, Maria

المصدر: PLoS ONE
PloS one, vol 6, iss 5
PLoS ONE, Vol 6, Iss 5, p e18845 (2011)

مصطلحات موضوعية: Protein Conformation, lcsh:Medicine, Ligands, Bioinformatics, Biochemistry, Computational Chemistry, Protein structure, Receptors, Drug Discovery, Macromolecular Structure Analysis, Combinatorial Chemistry Techniques, Biomacromolecule-Ligand Interactions, lcsh:Science, Protocol (object-oriented programming), Multidisciplinary, Drug discovery, Chemistry, Physics, Cell Surface, Medicine, Biophysic Al Simulations, Algorithms, Research Article, Biotechnology, Protein Binding, Protein Structure, Drugs and Devices, Drug Research and Development, General Science & Technology, Biophysics, Receptors, Cell Surface, Computational biology, Protein Chemistry, Chemical Biology, Humans, Set (psychology), Biology, Flexibility (engineering), Virtual screening, Ligand, lcsh:R, Proteins, Computational Biology, Small Molecules, Drug Design, lcsh:Q, Generic health relevance, Medicinal Chemistry

وصف الملف: application/pdf; STAMPA

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b777bd5d7a1d76d9debd8372062b3638Test
https://doi.org/10.1371/journal.pone.0018845Test