Simple liquid models with corrected dielectric constants
about
Toward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data ArchiveProtein-Ligand Electrostatic Binding Free Energies from Explicit and Implicit SolvationA fixed-charge model for alcohol polarization in the condensed phase, and its role in small molecule hydration.Atomistic models of general anesthetics for use in in silico biological studiesPredicting water-to-cyclohexane partitioning of the SAMPL5 molecules using dielectric balancing of force fields.Dielectric screening effect of electronic polarization and intramolecular hydrogen bonding.Accuracy limit of rigid 3-point water models.How Water's Properties Are Encoded in Its Molecular Structure and Energies.Building Water Models: A Different ApproachAdapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules.Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems.Zwitterionization of glycine in water environment: Stabilization mechanism and NMR spectral signatures.Towards a dissociative SPC-like water model - probing the impact of intramolecular Coulombic contributions.Elucidating the structure of merocyanine dyes with the ASEC-FEG method. Phenol blue in solution.
P2860
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P2860
Simple liquid models with corrected dielectric constants
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Simple liquid models with corrected dielectric constants
@en
type
label
Simple liquid models with corrected dielectric constants
@en
prefLabel
Simple liquid models with corrected dielectric constants
@en
P2860
P356
P1476
Simple liquid models with corrected dielectric constants
@en
P2093
Christopher J Fennell
Ken A Dill
P2860
P304
P356
10.1021/JP3002383
P407
P50
P577
2012-03-21T00:00:00Z