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1دورية أكاديمية
المؤلفون: Dina Kussainova, Athanassios Z. Panagiotopoulos
مصطلحات موضوعية: Biophysics, Microbiology, Immunology, Chemical Sciences not elsewhere classified, technological interest even, present study establishes, observed chemical composition, ab initio <, calculated equilibrium constants, observed partial pressure, gas phase depends, direct coexistence simulations, comparing model predictions, 3 sub, 2 sub, relevant experimental measurements, available experimental measurements, observe equilibrium dissociation, overall system sizes, liquid volume ratios, dp model predictions, deep potential model, experimental measurements, deep potential, equilibrium constant, simulations covered, partial pressures, dp model, vapor phase, time scales
الإتاحة: https://doi.org/10.1021/acs.jced.3c00580.s001Test
https://figshare.com/articles/journal_contribution/Molecular_Simulation_of_Lithium_Carbonate_Reactive_Vapor_Liquid_Equilibria_Using_a_Deep_Potential_Model/24911154Test -
2دورية أكاديمية
المؤلفون: Ye Ding, Jing Huang
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Biotechnology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, many biological processes, machine learning potentials, charge transfer effects, yet accurately modeling, deep potential model, study introduces dp, 4 sub, 1 sub, zinc coordination environment, molecular dynamics zinc, molecular modeling, >< sub, zinc coordination, hybrid model, tetrahedral coordination, cys <, zinc ions, valuable tool, unique blend, studying structures, qm levels, pioneering approach
الإتاحة: https://doi.org/10.1021/acs.jpclett.3c03158.s002Test
https://figshare.com/articles/journal_contribution/DP_MM_A_Hybrid_Model_for_Zinc_Protein_Interactions_in_Molecular_Dynamics/24977963Test -
3دورية أكاديمية
المؤلفون: Ye Ding, Jing Huang
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Biotechnology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, many biological processes, machine learning potentials, charge transfer effects, yet accurately modeling, deep potential model, study introduces dp, 4 sub, 1 sub, zinc coordination environment, molecular dynamics zinc, molecular modeling, >< sub, zinc coordination, hybrid model, tetrahedral coordination, cys <, zinc ions, valuable tool, unique blend, studying structures, qm levels, pioneering approach
الإتاحة: https://doi.org/10.1021/acs.jpclett.3c03158.s001Test
https://figshare.com/articles/journal_contribution/DP_MM_A_Hybrid_Model_for_Zinc_Protein_Interactions_in_Molecular_Dynamics/24977960Test