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: Manuel Rueda, F. Javier Luque, Modesto Orozco

المصدر: Journal of the American Chemical Society. 127:11690-11698

مصطلحات موضوعية: Indoles, Stereochemistry, Biochemistry, Catalysis, Dissociation (chemistry), Structure-Activity Relationship, chemistry.chemical_compound, Molecular dynamics, Colloid and Surface Chemistry, Molecule, Computer Simulation, Binding site, Binding Sites, Molecular Structure, Water, Netropsin, DNA, General Chemistry, Crystallography, Dodecameric protein, chemistry, Duplex (building), Bisbenzimidazole, Thermodynamics, Gases

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c7d43c69dd6bf992a72745772d849f60Test
https://doi.org/10.1021/ja0422110Test

المؤلفون: Modesto Orozco, Manuel Rueda, Elena Cubero, Charles A. Laughton

المصدر: Biophysical Journal. 87:800-811

مصطلحات موضوعية: Models, Molecular, Macromolecular Substances, Population, Biophysics, Biophysical Theory and Modeling, Ion, Motion, Molecular dynamics, C++ string handling, Computer Simulation, A-DNA, education, Groove (engineering), Ions, chemistry.chemical_classification, education.field_of_study, Binding Sites, Sodium, DNA, Crystallography, Dodecameric protein, Models, Chemical, chemistry, Chemical physics, Nucleic Acid Conformation, Counterion

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16be041b028f2def5b5cf3074b031167Test
https://doi.org/10.1529/biophysj.104.040451Test

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. 1108-26

مصطلحات 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/

المؤلفون: Modesto Orozco, Javier A. Velázquez-Muriel, Manuel Rueda, Isabel Cuesta, Alberto Pascual-Montano, José María Carazo

المصدر: BMC Structural Biology, Vol 9, Iss 1, p 6 (2009)
BMC Structural Biology

مصطلحات موضوعية: Models, Molecular, Protein domain, Biology, Plateau (mathematics), 01 natural sciences, 03 medical and health sciences, Molecular dynamics, Protein structure, Sequence Analysis, Protein, Structural Biology, 0103 physical sciences, Computer Simulation, Amino Acid Sequence, Statistical physics, lcsh:QH301-705.5, 030304 developmental biology, Flexibility (engineering), 0303 health sciences, Sequence Homology, Amino Acid, 010304 chemical physics, Proteins, Function (mathematics), Protein structure prediction, Protein Structure, Tertiary, Crystallography, Models, Chemical, lcsh:Biology (General), Protein folding, Research Article

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::04ce433510a91f9d60bc4f945f693dd3Test
http://www.biomedcentral.com/1472-6807/9/6Test

المؤلفون: Pablo Chacón, Manuel Rueda, Modesto Orozco

المصدر: Structure (London, England : 1993). 15(5)

مصطلحات موضوعية: Flexibility (engineering), Quantitative Biology::Biomolecules, Deformation (mechanics), Computer science, Dynamics (mechanics), Normal Distribution, Proteins, Modal, Models, Chemical, Normal mode, Computational chemistry, Structural Biology, Thermodynamics, Computer Simulation, Biological system, Molecular Biology

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::52c8ac735a0ae3016c414adb69db7f52Test
https://pubmed.ncbi.nlm.nih.gov/17502102Test

المؤلفون: F. Javier Luque, Manuel Rueda, Modesto Orozco

المصدر: Journal of the American Chemical Society. 128(11)

مصطلحات موضوعية: Models, Molecular, Aqueous solution, Guanine, Water, General Chemistry, DNA, Antiparallel (biochemistry), G-quadruplex, Biochemistry, Catalysis, Gas phase, G-Quadruplexes, Molecular dynamics, chemistry.chemical_compound, Colloid and Surface Chemistry, chemistry, Models, Chemical, Computational chemistry, Chemical physics, Nucleic Acid Conformation, heterocyclic compounds, Computer Simulation, Gases

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::46eec2e11386b9f52ed43470654c7246Test
https://pubmed.ncbi.nlm.nih.gov/16536534Test

المؤلفون: Susana G. Kalko, Modesto Orozco, Manuel Rueda, F. Javier Luque

المصدر: Journal of the American Chemical Society. 125(26)

مصطلحات موضوعية: Models, Molecular, Vacuum, Mass spectrometry, Biochemistry, Catalysis, Molecular dynamics, chemistry.chemical_compound, Structure-Activity Relationship, Colloid and Surface Chemistry, Vaporization, Molecule, Computer Simulation, Aqueous solution, Water, General Chemistry, DNA, Helicity, chemistry, Models, Chemical, Chemical physics, Helix, Physical chemistry, Nucleic Acid Conformation, Thermodynamics, Gases

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a305ae41f8e84c7690df20d8bfb6b094Test
https://pubmed.ncbi.nlm.nih.gov/12823023Test

المؤلفون: Oliver Carrillo, Agustí Emperador, Modesto Orozco, Manuel Rueda

المصدر: Biophysical Journal. (5):2127-2138

مصطلحات موضوعية: Flexibility (engineering), Models, Molecular, Quantitative Biology::Biomolecules, Computer science, Protein Conformation, Protein dynamics, Dissipative particle dynamics, Biophysics, Context (language use), Biophysical Theory and Modeling, Computational physics, Molecular dynamics, Normal mode, Computer Simulation, Biological system, Representation (mathematics), Brownian motion, Algorithms

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9694e86ba4cc6706c694564a391ddd40Test

المؤلفون: F. Javier Luque, Tim Meyer, Antonion Valencia, Carles Ferrer, ‡ Jose María López-Bes, Modesto Orozco, Xavier de la Cruz, Alberto Perez, Manuel Rueda, Agnes Noy, Juan Fernández-Recio, Ramon Pouplana

المصدر: Scopus-Elsevier
ResearcherID

مصطلحات موضوعية: Models, Molecular, Quantitative Biology::Biomolecules, Data processing, Computer science, Monte Carlo method, Information Storage and Retrieval, General Medicine, DNA, computer.software_genre, Bottleneck, Molecular dynamics, Structural Biology, Data Interpretation, Statistical, Nucleic Acids, Trajectory, Nucleic acid, Nucleic Acid Conformation, Thermodynamics, Computer Simulation, Data mining, Databases, Nucleic Acid, Molecular Biology, computer

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ec17f0e5675b04e0d366525cc0eb0afTest
http://www.scopus.com/inward/record.url?eid=2-s2.0-30744445978&partnerID=MN8TOARSTest