-
1
المؤلفون: José Ramón Blas, Modesto Orozco, ‡ Jose María López-Bes, Alberto Perez, Xavier de la Cruz,†,‖ and, Manuel Rueda
المصدر: Journal of chemical theory and computation. 1(5)
مصطلحات موضوعية: Flexibility (engineering), Potential impact, Modified dna, Dynamics (mechanics), Nanotechnology, Computational biology, Biology, Computer Science Applications, chemistry.chemical_compound, Molecular dynamics, chemistry, Nucleic acid, Physical and Theoretical Chemistry, DNA
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a85c360d4c45c020ae35e414000ccbbTest
https://pubmed.ncbi.nlm.nih.gov/26641895Test -
2
المؤلفون: José Ramón López-Blanco, Pablo Chacón, Manuel Rueda, Modesto Orozco, Laura Orellana, Carles Ferrer-Costa
المصدر: Journal of chemical theory and computation. 6(9)
مصطلحات موضوعية: Force constant, Molecular dynamics, Computer science, Multiple modes, Statistical physics, Data mining, Physical and Theoretical Chemistry, Ensemble diversity, computer.software_genre, computer, Elastic network models, Harmonic oscillator, Computer Science Applications
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::130f07caf9315649a935cc021c691768Test
https://pubmed.ncbi.nlm.nih.gov/26616090Test -
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: 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 -
5
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 -
6MoDEL (Molecular Dynamics Extended Library): a database of atomistic molecular dynamics trajectories
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 -
7
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 Biologyمصطلحات 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 -
8
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 -
9
المؤلفون: Elena Cubero, Manuel Rueda, José Ramón Blas, Charles A. Laughton, Modesto Orozco, F. Javier Luque
المصدر: Encyclopedia of Computational Chemistry
مصطلحات موضوعية: chemistry.chemical_compound, Molecular dynamics, Biochemistry, Molecular model, chemistry, Nucleic acid, RNA, Computational biology, Biology, DNA
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::9fd779a21490b65d94777fce37655af2Test
https://doi.org/10.1002/0470845015.cn0080Test -
10
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