Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning
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Evaluating Force Field Performance in Thermodynamic Calculations of Cyclodextrin Host-Guest Binding: Water Models, Partial Charges, and Host Force Field Parameters.Experimental charge density from electron microscopic maps.Force Field Parametrization of Metal Ions from Statistical Learning Techniques.Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields.Effects of aligned α-helix peptide dipoles on experimental electrostatic potentials.
P2860
Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
Biomolecular Force Field Param ...... Electron Density Partitioning
@ast
Biomolecular Force Field Param ...... Electron Density Partitioning
@en
type
label
Biomolecular Force Field Param ...... Electron Density Partitioning
@ast
Biomolecular Force Field Param ...... Electron Density Partitioning
@en
prefLabel
Biomolecular Force Field Param ...... Electron Density Partitioning
@ast
Biomolecular Force Field Param ...... Electron Density Partitioning
@en
P2093
P2860
P356
P1476
Biomolecular Force Field Param ...... Electron Density Partitioning
@en
P2093
Daniel J Cole
Jonah Z Vilseck
Julian Tirado-Rives
Mike C Payne
P2860
P304
P356
10.1021/ACS.JCTC.6B00027
P577
2016-04-08T00:00:00Z