المؤلفون: Manuel Rueda, Ali Torkamani

المصدر: BMC Bioinformatics, Vol 18, Iss 1, Pp 1-10 (2017)
BMC Bioinformatics

مصطلحات 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

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

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

المؤلفون: Vsevolod Katritch, Mark Yeager, Manuel Rueda, Ruben Abagyan, Polo Chun-Hung Lam

المصدر: Proteins: Structure, Function, and Bioinformatics. 78:197-211

مصطلحات موضوعية: Virtual screening, Drug discovery, Drug design, Adenosine A2A receptor, Computational biology, Biology, Ligand (biochemistry), Biochemistry, Adenosine receptor, Structural Biology, Homology modeling, Molecular Biology, G protein-coupled receptor

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::ff2d74f8c803512a3e28fa9bee7f519dTest
https://doi.org/10.1002/prot.22507Test

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: 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: 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

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

المؤلفون: Modesto Orozco, Manuel Rueda, Ruben Abagyan, Maxim Totrov

المساهمون: Universitat de Barcelona

المصدر: Recercat. Dipósit de la Recerca de Catalunya
instname
BMC Structural Biology
Rueda, Manuel; Orozco, Modesto; Totrov, Maxim; & Abagyan, Ruben. (2013). BioSuper: A web tool for the superimposition of biomolecules and assemblies with rotational symmetry. BMC Structural Biology, 13(1), 32. doi: http://dx.doi.org/10.1186/1472-6807-13-32Test. Retrieved from: http://www.escholarship.org/uc/item/9dh1d8z8Test
Dipòsit Digital de la UB
Universidad de Barcelona

مصطلحات موضوعية: Models, Molecular, Web server, Computer science, Protein Conformation, Rotational symmetry, computer.software_genre, Protein Structure, Secondary, Biologia computacional, Computational biology, 03 medical and health sciences, User-Computer Interface, Biomolècules, Structural Biology, Computer Graphics, Superimposition, Databases, Protein, Interactive visualization, Root-mean-square deviation, 030304 developmental biology, Oligòmers, Biomolecules, 0303 health sciences, Internet, 030302 biochemistry & molecular biology, Computational Biology, Proteins, computer.file_format, Protein Data Bank, Protein Structure, Tertiary, Crystallography, Oligomers, Symmetry (geometry), Protein Multimerization, computer, Algorithm, Proteïnes, Software, Generator (mathematics)

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a603f8e201e9c75a59fbd2abc5fc274bTest
http://hdl.handle.net/2445/54510Test

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