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1
المؤلفون: William H. Miller
المصدر: Proceedings of the National Academy of Sciences. 102:6660-6664
مصطلحات موضوعية: Time Factors, Quantum dynamics, Biophysics, Molecular Conformation, Molecular systems, Molecular conformation, Physical Phenomena, CHEMISTRY METHODS, Physical phenomena, Molecule, Statistical physics, Models, Statistical, Multidisciplinary, Chemistry, Physics, Degrees of freedom, Temperature, General Medicine, Models, Theoretical, Chemical Theory and Computation Special Feature, Classical mechanics, Systems analysis, Models, Chemical, Quantum Theory, Monte Carlo Method, Software
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a4fb6fd3dde42d7a886a1de10912e191
https://doi.org/10.1073/pnas.0408043102 -
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المؤلفون: John Kuriyan, Martin Karplus
المصدر: Proceedings of the National Academy of Sciences. 102:6679-6685
مصطلحات موضوعية: Models, Molecular, Protein Folding, Time Factors, Protein Conformation, Biophysics, Antineoplastic Agents, Nanotechnology, Computational biology, Catalysis, Piperazines, Molecular dynamics, Protein structure, Molecular motor, Animals, Humans, Computer Simulation, Proto-Oncogene Proteins c-abl, Protein function, Multidisciplinary, Chemistry, Mechanism (biology), Computational Biology, Proteins, Chemical Theory and Computation Special Feature, Enzymes, Protein Structure, Tertiary, Oxygen, Proton-Translocating ATPases, Pyrimidines, src-Family Kinases, Imatinib mesylate, Structural biology, Benzamides, Imatinib Mesylate, Thermodynamics, Protein folding, Monte Carlo Method, Software, Hydrogen
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fbdeb370c86ef304ed7252ac78a9402b
https://doi.org/10.1073/pnas.0408930102 -
3
المؤلفون: Peter Minary, Mark E. Tuckerman, Radu Iftimie
المصدر: Proceedings of the National Academy of Sciences. 102:6654-6659
مصطلحات موضوعية: Models, Molecular, Chemical process, Silicon, Spectrophotometry, Infrared, Field (physics), On the fly, Biophysics, Molecular Conformation, Electrons, Theoretical research, Electronic structure, Rationalization (economics), Models, Biological, Molecular conformation, Ab initio molecular dynamics, Butadienes, Statistical physics, Models, Statistical, Multidisciplinary, Computers, Temperature, Water, Models, Theoretical, Chemical Theory and Computation Special Feature, Geography, Thermodynamics, Hydrochloric Acid, Cartography, Software
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f8277e93702e2f9a25e360bcb194b36
https://doi.org/10.1073/pnas.0500193102 -
4
المؤلفون: Julian Tirado-Rives, William L. Jorgensen
المصدر: Proceedings of the National Academy of Sciences of the United States of America. 102(19)
مصطلحات موضوعية: Multidisciplinary, Models, Statistical, Chemistry, Computers, Macromolecular Substances, Computation, Monte Carlo method, Biophysics, Temperature, Systems Theory, Water, Statistical mechanics, Chemical Theory and Computation Special Feature, Potential energy, Organic molecules, Oxygen, Molecular dynamics, Systems theory, Water model, Solvents, Thermodynamics, Computer Simulation, Statistical physics, Monte Carlo Method
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::feb60ef759cbec48f5a3dd32f00ff434
https://pubmed.ncbi.nlm.nih.gov/15870211 -
5
المؤلفون: Richard A. Friesner
المصدر: Proceedings of the National Academy of Sciences of the United States of America. 102(19)
مصطلحات موضوعية: Quantum chemical, Physics, Multidisciplinary, Ab initio, Biophysics, Chemical Theory and Computation Special Feature, Quantum chemistry, Chemistry, Coupled cluster, Models, Chemical, Computational chemistry, Quantum Theory, Thermodynamics, Density functional theory, Statistical physics, Reaction field, Quantum, Software
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ba07a4c234383092ed871b4395ec1523
https://pubmed.ncbi.nlm.nih.gov/15870212 -
6
المؤلفون: Uzi Landman
مصطلحات موضوعية: Models, Molecular, Multidisciplinary, Nanotubes, Time Factors, Computer science, Computation, Physics, Nanowire, Biomedical Engineering, Biophysics, Nanotechnology, DNA, Breakup, Chemical Theory and Computation Special Feature, Catalysis, Quantum dot, Quantum Dots, Computer Simulation, Statistical physics, Focus (optics), Software
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d317cefc4a4f44c6acb14c7cfd110fc8
https://europepmc.org/articles/PMC1100739/ -
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المؤلفون: Hans C. Andersen
مصطلحات موضوعية: Length scale, Multidisciplinary, Chemistry, Computers, Physics, Dynamics (mechanics), Crossover, Microfluidics, Biophysics, Molecular Conformation, Temperature, Models, Theoretical, Chemical Theory and Computation Special Feature, Condensed Matter::Soft Condensed Matter, Molecular dynamics, Mode coupling, Solvents, Relaxation (physics), Thermodynamics, Computer Simulation, Statistical physics, Glass, Supercooling, Glass transition
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c7b87ad960fd355880738075b8b03109
https://europepmc.org/articles/PMC1100779/