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المؤلفون: Mina Nikolić, Sandi Brudar, Evangelos Coutsias, Ken A. Dill, Miha Lukšič, Carlos Simmerling, Barbara Hribar-Lee
المصدر: International Journal of Molecular Sciences; Volume 23; Issue 23; Pages: 15371
International journal of molecular sciences, vol 23, iss 23مصطلحات موضوعية: Chemical Physics, Viscosity, Organic Chemistry, electrophoretic mobility, Water, Proteins, General Medicine, Catalysis, Computer Science Applications, Solutions, Inorganic Chemistry, thermodynamics, zeta potential, database, proteins, solutions, hydrodynamic radius, diffusion coefficient, viscosity, cloud-point temperature, Hydrodynamics, Genetics, Other Biological Sciences, Physical and Theoretical Chemistry, Other Chemical Sciences, Molecular Biology, Spectroscopy
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::db661d90bcbb6cbf904778c83951246cTest
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المؤلفون: Ken A. Dill, Tomaz Urbic
المصدر: Journal of the American Chemical Society, vol 140, iss 49
مصطلحات موضوعية: Phase transition, Liquid water, Static Electricity, Chemical, 010402 general chemistry, 01 natural sciences, Biochemistry, Phase Transition, Article, Catalysis, Colloid and Surface Chemistry, Models, 0103 physical sciences, Static electricity, Pressure, Molecule, Supercooling, Physics::Atmospheric and Oceanic Physics, 010304 chemical physics, Chemistry, Hydrogen bond, Temperature, Water, Hydrogen Bonding, General Chemistry, 0104 chemical sciences, Temperature and pressure, Models, Chemical, Chemical physics, Chemical Sciences, Thermodynamics, Current (fluid)
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8291f78a2bb02c0726f82fafb2b8cb9cTest
https://doi.org/10.1021/jacs.8b08856Test -
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المصدر: Journal of computer-aided molecular design, vol 30, iss 11
مصطلحات موضوعية: Cyclohexane, Medicinal & Biomolecular Chemistry, Thermodynamic integration, Chemical, SAMPL, 010402 general chemistry, 01 natural sciences, Article, Force field (chemistry), Physics::Geophysics, Medicinal and Biomolecular Chemistry, chemistry.chemical_compound, Molecular dynamics, Solvation free energy, Cyclohexanes, Models, Theoretical and Computational Chemistry, Computational chemistry, 0103 physical sciences, Drug Discovery, Molecule, Computer Simulation, Statistical physics, Physical and Theoretical Chemistry, Physics::Atmospheric and Oceanic Physics, SEA, Molecular Structure, 010304 chemical physics, Distribution coefficient, Solvation, Water, Solvation model, 0104 chemical sciences, Computer Science Applications, Models, Chemical, Pharmaceutical Preparations, Solubility, chemistry, Solvents, Thermodynamics, Free energies, Partitioning
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9efcd44235eaec721cc4be933efd0d97Test
https://doi.org/10.1007/s10822-016-9961-9Test -
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المؤلفون: Miha Lukšič, Barbara Hribar-Lee, Tomaz Urbic, Ken A. Dill
المصدر: The Journal of Physical Chemistry B. 116:6177-6186
مصطلحات موضوعية: Enthalpy, Monte Carlo method, Thermodynamics, Heat capacity, Article, symbols.namesake, Entropy (classical thermodynamics), Computational chemistry, Pressure, Materials Chemistry, Water model, Physical and Theoretical Chemistry, Aqueous solution, Chemistry, Temperature, Solvation, Water, Hydrogen Bonding, Surfaces, Coatings and Films, Models, Chemical, Solvents, symbols, van der Waals force, Hydrophobic and Hydrophilic Interactions, Monte Carlo Method
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cf71ab29cfe1ebc5bd0f36dd46f6288bTest
https://doi.org/10.1021/jp300743aTest -
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المؤلفون: Christopher J. Fennell, Charles W. Kehoe, Ken A. Dill
المصدر: Proceedings of the National Academy of Sciences. 108:3234-3239
مصطلحات موضوعية: Quantitative Biology::Biomolecules, Multidisciplinary, Properties of water, Series (mathematics), Chemistry, Implicit solvation, Solvation, Water, Thermodynamics, Biological Sciences, Curvature, Solutions, Dipole, chemistry.chemical_compound, Solvation shell, Models, Chemical, Solubility, Computational chemistry, SPHERES, Physics::Chemical Physics, Physics::Atmospheric and Oceanic Physics
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5889a1c3dedb0c8926e419a1084d34cfTest
https://doi.org/10.1073/pnas.1017130108Test -
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المؤلفون: V. Vlachy, M. Druchok, Ken A. Dill
المصدر: The Journal of Physical Chemistry B. 113:14270-14276
مصطلحات موضوعية: Ions, chemistry.chemical_classification, Polymers, Inorganic chemistry, Water, chemistry.chemical_element, Polymer, Molecular Dynamics Simulation, Surfaces, Coatings and Films, Ion, Quaternary Ammonium Compounds, Solutions, chemistry.chemical_compound, Molecular dynamics, chemistry, Materials Chemistry, Chlorine, Thermodynamics, Molecule, Physical and Theoretical Chemistry, Methylene, Counterion, Hydrophobic and Hydrophilic Interactions, Alkyl
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cf7be88f7edfba7bd293bf154b756288Test
https://doi.org/10.1021/jp906727hTest -
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المؤلفون: Ken A. Dill, David L. Mobley
المصدر: Structure. 17:489-498
مصطلحات موضوعية: Protein Conformation, Ligands, Article, Protein structure, Structural Biology, Computational chemistry, Computer Simulation, Binding site, Molecular Biology, Binding Sites, Chemistry, Ligand, fungi, Computational Biology, Proteins, Water, food and beverages, Cooperative binding, Models, Theoretical, Affinities, Small molecule, Structural biology, Biophysics, Thermodynamics, Protein Binding, Binding domain
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f3109c32bc88b0df00e2760d2a8e61a8Test
https://doi.org/10.1016/j.str.2009.02.010Test -
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المؤلفون: Christopher I. Bayly, David L. Mobley, Ken A. Dill, Matthew D. Cooper
المصدر: The Journal of Physical Chemistry B. 113:4533-4537
مصطلحات موضوعية: Imagination, Chemical substance, Chemistry, media_common.quotation_subject, Solvation, Hypervalent molecule, Reproducibility of Results, Water, Thermodynamics, Article, Force field (chemistry), Surfaces, Coatings and Films, Molecular dynamics, Models, Chemical, Computational chemistry, Solvent models, Materials Chemistry, Molecule, Computer Simulation, Physical and Theoretical Chemistry, media_common
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8ac56e993628dff3d306ab620252424Test
https://doi.org/10.1021/jp806838bTest -
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المؤلفون: John D. Chodera, Ken A. Dill, David L. Mobley
المصدر: The Journal of Physical Chemistry B. 112:938-946
مصطلحات موضوعية: Implicit solvation, Molecular Conformation, Thermodynamics, Article, Computational chemistry, Materials Chemistry, Computer Simulation, Organic Chemicals, Physics::Chemical Physics, Physical and Theoretical Chemistry, Entropy (energy dispersal), Physics::Biological Physics, Quantitative Biology::Biomolecules, Aqueous solution, Chemistry, Solvation, Water, Conformational entropy, Small molecule, Surfaces, Coatings and Films, Solvent, Energy Transfer, Solvent models, Solvents, Algorithms
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16f828b99e53502f247977609c3a77feTest
https://doi.org/10.1021/jp0764384Test -
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المؤلفون: David L. Mobley, Ken A. Dill, John D. Chodera, Elise Dumont
المصدر: The Journal of Physical Chemistry B. 111:2242-2254
مصطلحات موضوعية: Entropy, Static Electricity, Biophysics, Molecular Conformation, Ab initio, Molecular mechanics, Static electricity, Materials Chemistry, Water model, Molecule, Computer Simulation, Physical and Theoretical Chemistry, Quantum, Models, Statistical, Molecular Structure, Chemistry, Physical, Chemistry, Temperature, Water, Small molecule, Surfaces, Coatings and Films, Solvent, Energy Transfer, Models, Chemical, Solvents, Thermodynamics, Atomic physics
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a079b8d832fc74da24adad7a3d3c62c5Test
https://doi.org/10.1021/jp0667442Test