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المؤلفون: Manuel Rueda, Roberto Ariosa, Mauricio Moldes, Jordi Rambla
المصدر: Bioinformatics. 38:4656-4657
مصطلحات موضوعية: Statistics and Probability, Computational Mathematics, Genome, Computational Theory and Mathematics, Genomics, Documentation, Molecular Biology, Biochemistry, Software, Computer Science Applications
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::45ef0f5e623839ad858ab28b733fb593Test
https://doi.org/10.1093/bioinformatics/btac568Test -
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المؤلفون: Manuel Rueda, Ali Torkamani
المصدر: BMC Bioinformatics, Vol 18, Iss 1, Pp 1-10 (2017)
BMC Bioinformaticsمصطلحات موضوعية: 0301 basic medicine, Male, Mitochondrial DNA, Annotation, Genomics, Context (language use), Computational biology, Biology, Heteroplasmy, lcsh:Computer applications to medicine. Medical informatics, Biochemistry, Genome, Sudden death, DNA, Mitochondrial, Haplogroup, Body Mass Index, Cohort Studies, 03 medical and health sciences, Structural Biology, Humans, Molecular Biology, lcsh:QH301-705.5, Exome sequencing, Genetics, Genome, Human, Applied Mathematics, Genetic Variation, High-Throughput Nucleotide Sequencing, Computer Science Applications, 030104 developmental biology, Healthy aging, lcsh:Biology (General), lcsh:R858-859.7, Female, Software
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f9d4160c9cfcb46ca299a1b7bbb0558dTest
http://link.springer.com/article/10.1186/s12859-017-1778-6Test -
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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 -
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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 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 -
7
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: Tim Meyer, Bidon-Chanal A, Modesto Orozco, Carles Ferrer-Costa, Alberto Perez, Manuel Rueda, Charles A. Laughton, F. J. Luque
المصدر: Journal of Chemical Theory and Computation. 2:251-258
مصطلحات موضوعية: Mathematical optimization, Covariance matrix, Computer science, Projection (linear algebra), Computer Science Applications, law.invention, law, Compression (functional analysis), Trajectory, Cartesian coordinate system, Physical and Theoretical Chemistry, Algorithm, Eigenvalues and eigenvectors, Interpolation, Data compression
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d98210e45460fb6f6c5f4c98bf10344Test
https://doi.org/10.1021/ct050285bTest -
9
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 -
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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