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Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization

机译：在显式溶剂分子动力学模拟中纠正有效静电力：限制溶剂产生的静电势和溶剂极化

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Maria M. Reif; Chris Oostenbrink;
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1. Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization [J] . Reif Maria M., Oostenbrink Chris Theoretical chemistry accounts . 2015,第2期

机译：在显式溶剂分子动力学模拟中纠正有效静电力：限制溶剂产生的静电势和溶剂极化
2. Direct observation of salt effects on molecular interactions through explicit-solvent molecular dynamics simulations: Differential effects on electrostatic and hydrophobic interactions and comparisons to Poisson-Boltzmann theory [J] . Thomas AS, Elcock AH Journal of the American Chemical Society . 2006,第24期

机译：通过显式溶剂分子动力学模拟直接观察盐对分子相互作用的影响：静电和疏水相互作用的微分效应以及与泊松-玻尔兹曼理论的比较
3. A Complete Thermodynamic Characterization of Electrostatic and Hydrophobic Associations in the Temperature Range 0 to 100 C from Explicit-Solvent Molecular Dynamics Simulations [J] . Shun Zhu, Adrian H. Elcock Journal of chemical theory and computation: JCTC . 2010,第4期

机译：从显式溶剂分子动力学模拟对0至100 C温度范围内的静电和疏水缔合的完整热力学表征
4. Molecular dynamics simulations of charged plates and electrolyte in a bilayer-like geometry: molecular ordering and electrostatic potential [C] . Sachs, J.N., Woolf, . 2002

机译：双层结构中带电板和电解质的分子动力学模拟：分子有序和静电势
5. Probing small molecule solution properties and molecular recognition processes via molecular dynamics simulations incorporating electrostatic polarization [D] . Zhong, Yang 2011

机译：通过结合静电极化的分子动力学模拟探索小分子溶液的性质和分子识别过程
6. Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization [O] . Maria M. Reif, Chris Oostenbrink -1

机译：在显式溶剂分子动力学模拟中纠正有效静电力：限制溶剂产生的静电势和溶剂极化
7. Direct Observation of Salt Effects on Molecular Interactions through Explicit-Solvent Molecular Dynamics Simulations: Differential Effects on Electrostatic and Hydrophobic Interactions and Comparisons to Poisson-Boltzmann Theory [O] . -1

机译：通过明确溶剂分子动力学模拟直接观察盐效的分子相互作用：对静电和疏水相互作用的差异影响，以及泊松 - 博尔兹曼理论的比较
8. Correlations between the Solvent Hydrogen-Bond-Donating Parameter Alpha and theCalculated Molecular Surface Electrostatic Potential [R] . Murray, J. S., Politzer, P. 1991

机译：溶剂氢键供给参数α与计算分子表面静电势的相关性

Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization

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