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1
المؤلفون: Dzmitry Padhorny, Mohammad Moghadasi, David R. Hall, Hanieh Mirzaei, Andrey Alekseenko, Dmitri Beglov, Artem B. Mamonov, Dima Kozakov
المصدر: Journal of Computer-Aided Molecular Design. 32:225-230
مصطلحات موضوعية: 0301 basic medicine, Mathematical optimization, Computer science, Fast Fourier transform, Monte Carlo method, Ligands, computer.software_genre, Molecular Docking Simulation, Article, Computational science, 03 medical and health sciences, symbols.namesake, Drug Discovery, Humans, Computer Aided Design, Physical and Theoretical Chemistry, Calcifediol, Binding Sites, Fourier Analysis, Monte carlo minimization, 17-alpha-Hydroxyprogesterone, Proteins, Sampling (statistics), Computer Science Applications, ComputingMethodologies_PATTERNRECOGNITION, 030104 developmental biology, Protein–ligand docking, Fourier analysis, Drug Design, symbols, Computer-Aided Design, Monte Carlo Method, computer, Protein Binding
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2
المؤلفون: Mohammad Moghadasi, Tanggis Bohnuud, Artem B. Mamonov, Dima Kozakov, Shahrooz Zarbafian, Pirooz Vakili, Ioannis Ch. Paschalidis, Hanieh Mirzaei, Laurie E. Grove, Sandor Vajda
المصدر: Journal of Computational Chemistry. 37:961-970
مصطلحات موضوعية: 0301 basic medicine, Protein Conformation, Fast Fourier transform, Ligands, 010402 general chemistry, 01 natural sciences, Molecular Docking Simulation, Article, 03 medical and health sciences, symbols.namesake, Protein structure, Resampling, Macromolecular docking, Fourier Analysis, Chemistry, Proteins, General Chemistry, 0104 chemical sciences, Computational Mathematics, Crystallography, 030104 developmental biology, Fourier analysis, Docking (molecular), symbols, Target protein, Biological system, Algorithms
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3
المؤلفون: Artem B. Mamonov, Dima Kozakov, Sandor Vajda, Seppe Leysen, Sergei V. Strelkov, Bing Xia, Ioannis Ch. Paschalidis, Karen N. Allen
المصدر: Journal of Computational Chemistry. 36:1568-1572
مصطلحات موضوعية: business.industry, Computer science, Small-angle X-ray scattering, Protein protein, Low resolution, Proteins, Accounting, General Chemistry, Molecular Docking Simulation, Article, Computational Mathematics, X-Ray Diffraction, Docking (molecular), Scattering, Small Angle, business
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4
المؤلفون: Stefan Jehle, Dana G. Sandor, Artem B. Mamonov, Dima Kozakov, Tanya R. Cafarella, Bing Xia, Andrew M. Bogorad, Sandor Vajda, Assen Marintchev
المصدر: Biochemistry
مصطلحات موضوعية: Protein Conformation, Archaeal Proteins, Protein subunit, Molecular Sequence Data, Plasma protein binding, Biology, Biochemistry, Article, 03 medical and health sciences, 0302 clinical medicine, Protein structure, Humans, Integrated stress response, Amino Acid Sequence, 030304 developmental biology, 0303 health sciences, eIF2, Mutagenesis, Molecular Docking Simulation, Eukaryotic Initiation Factor-2B, Protein Subunits, Mutation, eIF2B, Mutagenesis, Site-Directed, biology.protein, Guanine nucleotide exchange factor, Protein Multimerization, 030217 neurology & neurosurgery, Protein Binding
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5
المؤلفون: Eichiro Ichiishi, Dmitri Beglov, Bernard Maigret, Gyu Rie Lee, Artem B. Mamonov, Shoshana J. Wodak, Jonathan C. Fuller, Dima Kozakov, Jong Young Joung, Petr Popov, Xiaofeng Yu, Keehyoung Joo, João P. G. L. M. Rodrigues, Anna Vangone, Koen M. Visscher, Xiaoqin Zou, Paul A. Bates, Andriy Kryshtafovych, Shourya S. Roy Burman, Daisuke Kihara, Romina Oliva, Efrat Ben-Zeev, Jeffrey J. Gray, Yang Shen, Li C. Xue, Sameer Velankar, Emilie Neveu, Shruthi Viswanath, Dina Schneidman-Duhovny, Juan Esquivel-Rodríguez, Mieczyslaw Torchala, Amit Roy, Alexandre M. J. J. Bonvin, David R. Hall, Tanggis Bohnuud, Xusi Han, David W. Ritchie, Ron Elber, Daisuke Kuroda, Zhiwei Ma, Joan Segura, Carlos A. Del Carpio, Nicholas A. Marze, Jong Yun Kim, Andrej Sali, Petras J. Kundrotas, Ezgi Karaca, Neil J. Bruce, Chaok Seok, Panagiotis L. Kastritis, Shen You Huang, Ilya A. Vakser, Lim Heo, Sanbo Qin, Raphael A. G. Chaleil, Adrien S. J. Melquiond, Miguel Romero-Durana, Anisah W. Ghoorah, Surendra S. Negi, Andrey Tovchigrechko, Françoise Ochsenbein, Narcis Fernandez-Fuentes, Liming Qiu, Miriam Eisenstein, Mehdi Nellen, Marie-Dominique Devignes, Lenna X. Peterson, Jinchao Yu, Minkyung Baek, Brian G. Pierce, Hasup Lee, Toshiyuki Oda, Rebecca C. Wade, Raphael Guerois, Juan Fernández-Recio, Iain H. Moal, Edrisse Chermak, Sergei Grudinin, Sangwoo Park, Ivan Anishchenko, Chengfei Yan, Thom Vreven, Kentaro Tomii, Bing Xia, Hyung Rae Kim, Chiara Pallara, Jooyoung Lee, Kazunori D. Yamada, Xianjin Xu, Kenichiro Imai, Zhiping Weng, Luigi Cavallo, Tyler M. Borrman, Jianlin Cheng, Marc F. Lensink, Huan-Xiang Zhou, Jilong Li, Gydo C. P. van Zundert, Brian Jiménez-García, Tsukasa Nakamura, Scott E. Mottarella, Sandor Vajda
المساهمون: Institut de Recherche Interdisciplinaire [Villeneuve d'Ascq] ( IRI ), Université de Lille, Sciences et Technologies-Université de Lille, Droit et Santé-Centre National de la Recherche Scientifique ( CNRS ), European Molecular Biology Laboratory, European Bioinformatics Institute, Genome Center [UC Davis], University of California at Davis, Research Support Computing [Columbia], University of Missouri-Columbia, Bioinformatics Consortium and Department of Computer Science [Columbia], Department of Bioengineering and Therapeutic Sciences, University of California [San Francisco] ( UCSF ), Department of Pharmaceutical Chemistry, Department of Bioengineering and Therapeutic Sciences, Department of Pharmaceutical Chemistry, University of California [San Francisco] ( UCSF ) -California Institute for Quantitative Biosciences, GN7 of the National Institute for Bioinformatics (INB) and Biocomputing Unit, Centro Nacional de Biotecnología (CSIC), Institute of Biological, Environmental and Rural Sciences ( IBERS ), Institute for Computational Engineering and Sciences [Austin] ( ICES ), University of Texas at Austin [Austin], Department of Computer Science, Department of Chemistry, Algorithms for Modeling and Simulation of Nanosystems ( NANO-D ), Inria Grenoble - Rhône-Alpes, Institut National de Recherche en Informatique et en Automatique ( Inria ) -Institut National de Recherche en Informatique et en Automatique ( Inria ) -Laboratoire Jean Kuntzmann ( LJK ), Université Pierre Mendès France - Grenoble 2 ( UPMF ) -Université Joseph Fourier - Grenoble 1 ( UJF ) -Institut Polytechnique de Grenoble - Grenoble Institute of Technology-Centre National de la Recherche Scientifique ( CNRS ) -Université Grenoble Alpes ( UGA ) -Université Pierre Mendès France - Grenoble 2 ( UPMF ) -Université Joseph Fourier - Grenoble 1 ( UJF ) -Institut Polytechnique de Grenoble - Grenoble Institute of Technology-Centre National de la Recherche Scientifique ( CNRS ) -Université Grenoble Alpes ( UGA ) -Institut National Polytechnique de Grenoble ( INPG ), Moscow Institute of Physics and Technology [Moscow] ( MIPT ), Seoul National University [Seoul], Florida State University [Tallahassee] ( FSU ), Computational Algorithms for Protein Structures and Interactions ( CAPSID ), Inria Nancy - Grand Est, Institut National de Recherche en Informatique et en Automatique ( Inria ) -Institut National de Recherche en Informatique et en Automatique ( Inria ) -Department of Complex Systems, Artificial Intelligence & Robotics ( LORIA - AIS ), Laboratoire Lorrain de Recherche en Informatique et ses Applications ( LORIA ), Institut National de Recherche en Informatique et en Automatique ( Inria ) -Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ) -Institut National de Recherche en Informatique et en Automatique ( Inria ) -Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ) -Laboratoire Lorrain de Recherche en Informatique et ses Applications ( LORIA ), Institut National de Recherche en Informatique et en Automatique ( Inria ) -Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ) -Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), University of Mauritius, Biomolecular Modelling Laboratory, The Francis Crick Institute, Lincoln's Inn Fields Laboratory, G-INCPM, Weizmann Institute of Science, Chemical Research Support [Rehovot], Sealy Center for Structural Biology and Molecular Biophysics, The University of Texas Medical Branch ( UTMB ), Program in Bioinformatics and Integrative Biology [Worcester], University of Massachusetts Medical School [Worcester] ( UMASS ), Institut de Biologie Intégrative de la Cellule ( I2BC ), Université Paris-Saclay-Centre National de la Recherche Scientifique ( CNRS ) -Commissariat à l'énergie atomique et aux énergies alternatives ( CEA ) -Université Paris-Sud - Paris 11 ( UP11 ), Bijvoet Center for Biomolecular Research [Utrecht], Utrecht University [Utrecht], Dalton Cardiovascular Research Center [Columbia], Department of Computer Science [Columbia], Informatics Intitute, Department of Biochemistry, University of Missouri, UNIVERSITY OF MISSOURI, Toyota Technological Institute at Chicago [Chicago] ( TTIC ), Department of Biological Sciences, Purdue University, Purdue University [West Lafayette], Department of Computer Science [Purdue], Bioinformatics and Computational Biosciences Branch, Rocky Mountain Laboratories, Molecular and Cellular Modeling Group, Heidelberg Institute of Theoretical Studies, Center for Molecular Biology ( ZMBH ), Universität Heidelberg [Heidelberg], Interdisciplinary Center for Scientific Computing ( IWR ), Department of Molecular Biosciences [Lawrence], University of Kansas [Lawrence] ( KU ), Computational Biology Research Center ( CBRC ), National Institute of Advanced Industrial Science and Technology ( AIST ), Graduate School of Frontier Sciences, The University of Tokyo, Joint BSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center - Centro Nacional de Supercomputacion ( BSC - CNS ), Center for In-Silico Protein Science, Korea Institute for Advanced Study ( KIAS ), Center for Advanced Computation, Department of Biomedical Engineering [Boston], Boston University [Boston] ( BU ), Institute of Biological Diversity, International Pacific Institute of Indiana, Drosophila Genetic Resource Center, Kyoto Institute of Technology, International University of Health and Welfare Hospital ( IUHW Hospital ), International University of Health and Welfare Hospital, Department of Chemical and Biomolecular Engineering [Baltimore], Johns Hopkins University ( JHU ), Program in Molecular Biophysics [Baltimore], King Abdullah University of Science and Technology ( KAUST ), University of Naples, J Craig Venter Institute, Structural Biology Research Center, VIB, 1050 Brussels, Belgium, Institut de Recherche Interdisciplinaire [Villeneuve d'Ascq] (IRI), Université de Lille, Sciences et Technologies-Université de Lille, Droit et Santé-Centre National de la Recherche Scientifique (CNRS), European Bioinformatics Institute [Hinxton] (EMBL-EBI), EMBL Heidelberg, University of California [Davis] (UC Davis), University of California (UC)-University of California (UC), University of Missouri [Columbia] (Mizzou), University of Missouri System, University of California [San Francisco] (UC San Francisco), Centro Nacional de Biotecnología [Madrid] (CNB-CSIC), Consejo Superior de Investigaciones Científicas [Madrid] (CSIC)-Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), Institute of Biological, Environmental and Rural Sciences (IBERS), Institute for Computational Engineering and Sciences [Austin] (ICES), Algorithms for Modeling and Simulation of Nanosystems (NANO-D), Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Laboratoire Jean Kuntzmann (LJK ), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Moscow Institute of Physics and Technology [Moscow] (MIPT), Seoul National University [Seoul] (SNU), Florida State University [Tallahassee] (FSU), Computational Algorithms for Protein Structures and Interactions (CAPSID), Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Department of Complex Systems, Artificial Intelligence & Robotics (LORIA - AIS), Laboratoire Lorrain de Recherche en Informatique et ses Applications (LORIA), Institut National de Recherche en Informatique et en Automatique (Inria)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Laboratoire Lorrain de Recherche en Informatique et ses Applications (LORIA), Institut National de Recherche en Informatique et en Automatique (Inria)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Biomolecular Modelling Laboratory [London], The Francis Crick Institute [London], Weizmann Institute of Science [Rehovot, Israël], The University of Texas Medical Branch (UTMB), University of Massachusetts Medical School [Worcester] (UMASS), University of Massachusetts System (UMASS)-University of Massachusetts System (UMASS), Institut de Biologie Intégrative de la Cellule (I2BC), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Assemblage moléculaire et intégrité du génome (AMIG), Département Biochimie, Biophysique et Biologie Structurale (B3S), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut de Biologie Intégrative de la Cellule (I2BC), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), University of Missouri System-University of Missouri System, Toyota Technological Institute at Chicago [Chicago] (TTIC), Department of Biological Sciences [Lafayette IN], Heidelberg Institute for Theoretical Studies (HITS ), Center for Molecular Biology (ZMBH), Universität Heidelberg [Heidelberg] = Heidelberg University, Interdisciplinary Center for Scientific Computing (IWR), University of Kansas [Lawrence] (KU), Computational Biology Research Center (CBRC), National Institute of Advanced Industrial Science and Technology (AIST), The University of Tokyo (UTokyo), Barcelona Supercomputing Center - Centro Nacional de Supercomputacion (BSC - CNS), Korea Institute for Advanced Study (KIAS), Boston University [Boston] (BU), International University of Health and Welfare Hospital (IUHW Hospital), Johns Hopkins University (JHU), King Abdullah University of Science and Technology (KAUST), University of Naples Federico II = Università degli studi di Napoli Federico II, J. Craig Venter Institute, VIB-VUB Center for Structural Biology [Bruxelles], VIB [Belgium], Centre National de la Recherche Scientifique (CNRS)-Université de Lille, Droit et Santé-Université de Lille, Sciences et Technologies, University of California-University of California, University of California [San Francisco] (UCSF), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire Lorrain de Recherche en Informatique et ses Applications (LORIA), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL), University of Naples Federico II, Barcelona Supercomputing Center, NMR Spectroscopy, Sub NMR Spectroscopy
المصدر: Proteins-Structure, Function and Bioinformatics
Proteins-Structure, Function and Bioinformatics, Wiley, 2016, Special Issue: Eleventh Meeting on the Critical Assessment of Techniques for Protein Structure Prediction, 84 (S1), pp.323-348 〈10.1002/prot.25007〉
Proteins-Structure, Function and Bioinformatics, 2016, Special Issue: Eleventh Meeting on the Critical Assessment of Techniques for Protein Structure Prediction, 84 (S1), pp.323-348. ⟨10.1002/prot.25007⟩
Proteins-Structure, Function and Bioinformatics, Wiley, 2016, Special Issue: Eleventh Meeting on the Critical Assessment of Techniques for Protein Structure Prediction, 84 (S1), pp.323-348. ⟨10.1002/prot.25007⟩
Recercat. Dipósit de la Recerca de Catalunya
instname
Proteins
Proteins: Structure function and bioinformatics, 84(S1), 323. Wiley-Liss Inc.
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)مصطلحات موضوعية: 0301 basic medicine, Protein Conformation, alpha-Helical, Protein Folding, Computer science, International Cooperation, Amino Acid Motifs, Oligomer state, Homoprotein, DATA-BANK, computer.software_genre, Molecular Docking Simulation, Biochemistry, CAPRI Round 30, DESIGN, Structural Biology, ALIGN, Blind prediction, AFFINITY, Protein interaction, Enginyeria biomèdica [Àrees temàtiques de la UPC], ZDOCK, Oligomer State, computer.file_format, Articles, Protein structure prediction, Proteïnes--Investigació, 3. Good health, WEB SERVER, CASP, Thermodynamics, Data mining, CAPRI, Protein docking, Molecular Biology, Algorithms, INTERFACES, Protein Binding, [ INFO.INFO-MO ] Computer Science [cs]/Modeling and Simulation, Bioinformatics, STRUCTURAL BIOLOGY, Computational biology, Molecular Dynamics Simulation, Article, 03 medical and health sciences, [ INFO.INFO-BI ] Computer Science [cs]/Bioinformatics [q-bio.QM], Heteroprotein, Humans, Protein binding, Macromolecular docking, Protein Interaction Domains and Motifs, Homology modeling, ALGORITHM, Protein-protein docking, Internet, Binding Sites, Models, Statistical, 030102 biochemistry & molecular biology, Bacteria, Sequence Homology, Amino Acid, Computational Biology, Proteins, Protein Data Bank, [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, Protein Structure, Tertiary, 030104 developmental biology, Structural biology, Docking (molecular), Protein structure, Protein Conformation, beta-Strand, Protein Multimerization, oligomer state, blind prediction, protein interaction, protein docking, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], computer, Software
وصف الملف: image/pdf; application/pdf
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6
المؤلفون: Artem B. Mamonov, Xin Zhang, Daniel M. Zuckerman
المصدر: Journal of Computational Chemistry. 32:396-405
مصطلحات موضوعية: Databases, Factual, Polymers, Computer science, Molecular Conformation, 010402 general chemistry, 01 natural sciences, Article, Molecular conformation, Fragment (logic), Computational chemistry, 0103 physical sciences, Small peptide, Molecule, Computer Simulation, chemistry.chemical_classification, 010304 chemical physics, Sampling (statistics), Atom (order theory), General Chemistry, Polymer, 0104 chemical sciences, Computational Mathematics, chemistry, Peptides, Biological system, Algorithms
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7
المؤلفون: Artem B. Mamonov, Xin Zhang, Daniel M. Zuckerman
المصدر: Journal of Computational Chemistry. 30:1680-1691
مصطلحات موضوعية: Work (thermodynamics), Polymers, FOS: Physical sciences, 010402 general chemistry, 01 natural sciences, Article, Fragment (logic), Computational chemistry, 0103 physical sciences, Small peptide, Molecule, Computer Simulation, Physics - Biological Physics, Binding affinities, Partition function (statistical mechanics), 010304 chemical physics, Series (mathematics), Chemistry, Dipeptides, General Chemistry, 0104 chemical sciences, Computational Mathematics, Models, Chemical, Biological Physics (physics.bio-ph), Thermodynamics, Free energies, Biological system, Oligopeptides
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8
المؤلفون: Artem B. Mamonov, Rob D. Coalson, John C. Mathai, Mark L. Zeidel
المصدر: The Journal of General Physiology
مصطلحات موضوعية: Models, Molecular, Self-diffusion, Cell Membrane Permeability, Physiology, Protein Conformation, Oxide, Analytical chemistry, 010402 general chemistry, 01 natural sciences, Article, 03 medical and health sciences, chemistry.chemical_compound, Molecular dynamics, Water model, Animals, Computer Simulation, Deuterium Oxide, POPC, 030304 developmental biology, 0303 health sciences, Aquaporin 1, Reproducibility of Results, Water, Articles, 0104 chemical sciences, Solvent, Permeability (earth sciences), chemistry, Deuterium, Models, Chemical, Cattle
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9
المؤلفون: Abraham Nitzan, Rob D. Coalson, Maria Kurnikova, Artem B. Mamonov
المصدر: Biophysical Journal. 84(6):3646-3661
مصطلحات موضوعية: Models, Molecular, Cell Membrane Permeability, Protein Conformation, Static Electricity, Analytical chemistry, Biophysics, Biophysical Theory and Modeling, Dielectric, Models, Biological, Molecular physics, Ion Channels, Ion, Diffusion, Structure-Activity Relationship, Molecular dynamics, Physics::Plasma Physics, Electrochemistry, Computer Simulation, Potential of mean force, Diffusion (business), Ion channel, Chemistry, Gramicidin, Ion current, Energy Transfer, Potassium, Quantum Theory, Ion Channel Gating, Porosity, Communication channel
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10
المؤلفون: Hanieh Mirzaei, Ioannis Ch. Paschalidis, Sandor Vajda, Artem B. Mamonov, Dima Kozakov, Mohammad Moghadasi, Pirooz Vakili
المصدر: Journal of chemical information and modeling. 55(4)
مصطلحات موضوعية: Mathematical optimization, Time Factors, Computer science, Extramural, General Chemical Engineering, Proteins, Multiprocessing, General Chemistry, Parallel computing, Library and Information Sciences, Protein structure prediction, Molecular Docking Simulation, Article, Computer Science Applications, Docking (molecular), Proteins metabolism, Side chain, Thermodynamics, Macromolecular docking, Algorithms
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11A Message Passing Approach to Side Chain Positioning with Applications in Protein Docking Refinement
المؤلفون: Ioannis Ch. Paschalidis, Sandor Vajda, Artem B. Mamonov, Dima Kozakov, Mohammad Moghadasi, Pirooz Vakili
المصدر: CDC
مصطلحات موضوعية: Quantitative Biology::Biomolecules, Theoretical computer science, Docking (molecular), Computer science, Computer Science::Systems and Control, Message passing, Side chain, Macromolecular docking, Computational structural biology, Heuristics, Algorithm, Article, MathematicsofComputing_DISCRETEMATHEMATICS
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12
المؤلفون: Artem B. Mamonov, Ying Ding, Daniel M. Zuckerman
المصدر: Biophysical Journal. 100(3)
مصطلحات موضوعية: Computer science, Monte Carlo method, Biophysics, Sampling (statistics), Potential energy, Computational science, symbols.namesake, Mixing (mathematics), Computational chemistry, symbols, Remainder, Hamiltonian (quantum mechanics), Energy (signal processing), Gibbs sampling
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13
المؤلفون: Daniel M. Zuckerman, Artem B. Mamonov, Steven Lettieri
المصدر: Journal of computational chemistry. 32(6)
مصطلحات موضوعية: Monte Carlo method, Biophysics, FOS: Physical sciences, Dielectric, 010402 general chemistry, Ligands, Molecular physics, 01 natural sciences, Quantitative Biology - Quantitative Methods, Article, Hybrid Monte Carlo, Free energy perturbation, Computational chemistry, 0103 physical sciences, Molecule, Physics - Biological Physics, Quantitative Methods (q-bio.QM), Binding Sites, 010304 chemical physics, Chemistry, Temperature, Biomolecules (q-bio.BM), General Chemistry, Computational Physics (physics.comp-ph), 0104 chemical sciences, Computational Mathematics, Quantitative Biology - Biomolecules, Biological Physics (physics.bio-ph), FOS: Biological sciences, Dynamic Monte Carlo method, Quantum Theory, Peptides, Physics - Computational Physics, Monte Carlo Method, Importance sampling, Algorithms, Monte Carlo molecular modeling
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14
المؤلفون: Artem B. Mamonov, Daniel M. Zuckerman
المصدر: Biophysical Journal. 98(3)
مصطلحات موضوعية: Hybrid Monte Carlo, Computer science, Monte Carlo method, Protein model, Feature (machine learning), Dynamic Monte Carlo method, Biophysics, Nanotechnology, Point (geometry), Protein structure prediction, Computational science, Monte Carlo molecular modeling
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15
المؤلفون: Artem B. Mamonov, Daniel M. Zuckerman, Derek J. Cashman, Divesh Bhatt
المصدر: Current topics in medicinal chemistry. 11(2)
مصطلحات موضوعية: Models, Molecular, Differential Thermal Analysis, Monosaccharide Transport Proteins, Protein Conformation, Monte Carlo method, Biophysics, Thermal fluctuations, FOS: Physical sciences, Molecular Dynamics Simulation, 010402 general chemistry, Crystallography, X-Ray, 01 natural sciences, Article, Molecular dynamics, 03 medical and health sciences, Protein structure, 0302 clinical medicine, Apoenzymes, Drug Discovery, Side chain, Escherichia coli, Physics - Biological Physics, Disulfides, Amino Acids, 030304 developmental biology, Virtual screening, 0303 health sciences, Chemistry, Protein dynamics, Calcium-Binding Proteins, Galactose, General Medicine, Computational Physics (physics.comp-ph), 0104 chemical sciences, 3. Good health, Crystallography, Glucose, Chemical physics, Docking (molecular), Biological Physics (physics.bio-ph), Periplasmic Binding Proteins, Holoenzymes, Physics - Computational Physics, 030217 neurology & neurosurgery, Protein Binding
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16
المؤلفون: Divesh Bhatt, Derek J. Cashman, Daniel M. Zuckerman, Ying Ding, Artem B. Mamonov
المصدر: The journal of physical chemistry. B. 113(31)
مصطلحات موضوعية: Models, Molecular, Quantitative Biology::Biomolecules, Computer science, Protein Conformation, Quantum Monte Carlo, Monte Carlo method, Sampling (statistics), Proteins, Article, Surfaces, Coatings and Films, Hybrid Monte Carlo, Materials Chemistry, Dynamic Monte Carlo method, Thermodynamics, Monte Carlo method in statistical physics, Computer Simulation, Direct simulation Monte Carlo, Statistical physics, Physical and Theoretical Chemistry, Peptides, Monte Carlo Method, Monte Carlo molecular modeling
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17
المؤلفون: Maria Kurnikova, Rob D. Coalson, Artem B. Mamonov
المصدر: Biophysical chemistry. 124(3)
مصطلحات موضوعية: Fluctuation-dissipation theorem, Chemistry, Organic Chemistry, Biophysics, Analytical chemistry, Gramicidin, Computational Biology, Water, Cations, Monovalent, Biochemistry, Molecular physics, Fick's laws of diffusion, Ion Channels, Article, Ion, Mean squared displacement, Diffusion, chemistry.chemical_compound, Molecular dynamics, Potassium, Diffusion (business), Mathematical Computing, Harmonic oscillator
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18Academic Journal
المؤلفون: Monte Carlo, Ying Ding, Artem B. Mamonov, Daniel M. Zuckerman
المساهمون: The Pennsylvania State University CiteSeerX Archives
وصف الملف: application/pdf
Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.388.4625; http://www.ccbb.pitt.edu/people/yid5/publication/LBMC_arxiv.pdf
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19Academic Journal
المؤلفون: Artem B. Mamonov, Divesh Bhatt, Derek J. Cashman, Ying Ding, Daniel M. Zuckerman
المساهمون: The Pennsylvania State University CiteSeerX Archives
مصطلحات موضوعية: library-based Monte Carlo, Metropolized Independence Sampling, Metropolis-Hastings Monte Carlo, Gō potential, CDC25B, GGBP
وصف الملف: application/pdf
Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.388.2546; http://www.ccbb.pitt.edu/people/yid5/publication/LBMC_semiatomistic.pdf
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20
المؤلفون: Artem B. Mamonov, Daniel M. Zuckerman
المصدر: Biophysical Journal. 96:407a
مصطلحات موضوعية: Atom (programming language), Computer science, Efficiency comparison, Biophysics, Protein model, Sampling (statistics), Sample (statistics), Langevin dynamics, Algorithm, Energy (signal processing)