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المؤلفون: P. Herranz-Pinto, Cristina Gómez-Fernández, Daniel Nieto-Rodríguez, José Manuel Rueda-Carnero
المصدر: International Journal of Dermatology. 56:1180-1181
مصطلحات موضوعية: medicine.medical_specialty, Pyridines, Antineoplastic Agents, Dermatology, Subacute cutaneous lupus erythematosus, 030207 dermatology & venereal diseases, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Piperidines, Lupus Erythematosus, Cutaneous, medicine, Humans, Protein Kinase Inhibitors, Aged, Lupus erythematosus, business.industry, Masitinib, medicine.disease, Thiazoles, chemistry, 030220 oncology & carcinogenesis, Benzamides, Female, Drug Eruptions, business
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb6e1ccb928586b116f159976aef0dd2Test
https://doi.org/10.1111/ijd.13762Test -
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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 -
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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 -
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المؤلفون: José Manuel Rueda-Cantuche
المصدر: Economic Systems Research. 23:261-280
مصطلحات موضوعية: Economics and Econometrics, Econometric analysis, Inverse, Square (algebra), Matrix (mathematics), chemistry.chemical_compound, chemistry, Carbon dioxide, Econometrics, Economics, media_common.cataloged_instance, European economy, European union, media_common
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::1f374a415227a9778ca494ca2345ceb3Test
https://doi.org/10.1080/09535314.2011.604768Test -
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المؤلفون: José Manuel Rueda-Cantuche, Antonio F. Amores
المصدر: Ecological Economics. 69:988-998
مصطلحات موضوعية: Sustainable development, Economics and Econometrics, Natural resource economics, Input–output model, Climate change, External trade, chemistry.chemical_compound, Econometric model, chemistry, Carbon dioxide, Sustainability, Econometrics, Economics, General Environmental Science, Statistical hypothesis testing
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::9211f8856f7dbad43fffe900692d53dcTest
https://doi.org/10.1016/j.ecolecon.2010.01.003Test -
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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 -
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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 -
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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 -
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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 -
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المؤلفون: Semen A. Trygubenko, Ji Poner, F. Javier Luque, Modesto Orozco, Manuel Rueda, Tetyana V. Bogdan, Pavel Hobza, Petr Slav Ek
المصدر: Phys. Chem. Chem. Phys.. 4:4192-4203
مصطلحات موضوعية: Aqueous solution, Chemistry, Stereochemistry, Nucleic acid, Ab initio, General Physics and Astronomy, Physical and Theoretical Chemistry, Tautomer, Gas phase
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::db49f0e8b60ad8db4abf41380f0de36eTest
https://doi.org/10.1039/b202156kTest