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1
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 -
2
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 -
3
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 -
4
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 -
5
المؤلفون: Victor Solovyev, Umesh Ghoshdastider, Patrick Sexton, Andrei Lomize, Nathan Hall, Vladimir Yarov-Yarovoy, Stefano Costanzi, William Church, Nikolay Dokholyan, Robert Mach, David Chalmers, Srinivas Ramachandran, Vsevolod Katritch, Joseph Rebehmed, Chris De Graaf, David Reichert, Henri Xhaard, Slawomir Filipek, John Simms, Supriyo Bhattacharya, Jens Carlsson, Bartosz Trzaskowski, I.J.P. De Esch, Lei Shi, Dorota Latek, Woody Sherman, Liliana Halip, Manuel Rueda, Irina Kufareva, Elizabeth Yuriev, Jana Selent, Denise Wootten
المساهمون: Medicinal chemistry, AIMMS
المصدر: Structure with Folding & Design, 19, 1108-26
Kufareva, I, Rueda, M, Katritch, V, Roumen, L, de Esch, I J P, Leurs, R, de Graaf, C, Stevens, R C & Abagyan, R 2011, ' Status of GPCR Modeling and Docking as Reflected by Community-wide GPCR Dock 2010 Assessment ', Structure, vol. 19, pp. 1108-1126 . https://doi.org/10.1016/j.str.2011.05.012Test
Structure, 19, 1108-1126. Cell Press
Structure with Folding & Design, 19, 8, pp. 1108-26مصطلحات موضوعية: Chemical and physical biology [NCMLS 7], Models, Molecular, Quantitative structure–activity relationship, Receptors, CXCR4, Genetics and epigenetic pathways of disease [NCMLS 6], Molecular model, Molecular Sequence Data, Computational biology, Biology, Crystallography, X-Ray, 01 natural sciences, Article, Receptors, G-Protein-Coupled, 03 medical and health sciences, Chemokine receptor, Structural Biology, DOCK, Salicylamides, Humans, Computer Simulation, Homology modeling, Amino Acid Sequence, Molecular Biology, 030304 developmental biology, G protein-coupled receptor, 0303 health sciences, Binding Sites, 010405 organic chemistry, Receptors, Dopamine D3, Thiourea, Small molecule, Peptide Fragments, 0104 chemical sciences, Biochemistry, Docking (molecular), Protein Binding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5007a5be69b7ad8522411e93b367055fTest
https://europepmc.org/articles/PMC3154726Test/ -
6
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 -
7
المصدر: Proteins. 78(1)
مصطلحات موضوعية: Models, Molecular, Binding Sites, Adenosine A2 Receptor Agonists, Receptor, Adenosine A2A, Molecular Sequence Data, Ligands, Article, Adenosine A2 Receptor Antagonists, Structural Homology, Protein, Drug Design, Humans, Amino Acid Sequence, Sequence Alignment, Protein Binding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=pmid________::cba7ce667b64afc41f7dcb4dd408fc7cTest
https://pubmed.ncbi.nlm.nih.gov/20063437Test -
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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 -
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المؤلفون: Manuel Rueda, Chiara Pallara, Ruben Abagyan, Juan Fernández-Recio
المساهمون: Barcelona Supercomputing Center
المصدر: Recercat. Dipósit de la Recerca de Catalunya
instname
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)مصطلحات موضوعية: 0301 basic medicine, Fast Fourier Transform (FFT) algorithms, Protein Conformation, Cèl·lules, Computational biology, Molecular Dynamics Simulation, Molecular dynamics, Protein–protein interaction, Cellular processes, Enginyeria de proteïnes, 03 medical and health sciences, Protein structure, Computational chemistry, Humans, Macromolecular docking, Dinàmica molecular, Physical and Theoretical Chemistry, Conformational ensembles, Chemistry, Protein dynamics, Enginyeria biomèdica [Àrees temàtiques de la UPC], Proteins, MODELLER, Computer Science Applications, Cellular series, Generation of Protein Conformational Ensembles, 030104 developmental biology, Searching the conformational space for docking, Docking (molecular), Protein engineering, Protein Binding
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83dd7ef58182f4a3b530b8beacdabe42Test
http://hdl.handle.net/2117/89374Test