Differential geometry based solvation model. III. Quantum formulation.
about
Multiscale multiphysics and multidomain models--flexibility and rigidity.Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties.Nonlinear Poisson equation for heterogeneous media.Variational approach for nonpolar solvation analysis.Parameterization of a geometric flow implicit solvation model.Origin of parameter degeneracy and molecular shape relationships in geometric-flow calculations of solvation free energiesVariational multiscale models for charge transport.Multiscale Multiphysics and Multidomain Models I: Basic Theory.Automatic parametrization of non-polar implicit solvent models for the blind prediction of solvation free energies.Object-oriented Persistent Homology.Multiscale geometric modeling of macromolecules II: Lagrangian representation.Multiscale geometric modeling of macromolecules I: Cartesian representationParameter optimization in differential geometry based solvation models.Breaking the polar-nonpolar division in solvation free energy prediction.The impact of surface area, volume, curvature, and Lennard-Jones potential to solvation modeling.
P2860
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P2860
Differential geometry based solvation model. III. Quantum formulation.
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
2011年论文
@zh
2011年论文
@zh-cn
name
Differential geometry based solvation model. III. Quantum formulation.
@en
type
label
Differential geometry based solvation model. III. Quantum formulation.
@en
prefLabel
Differential geometry based solvation model. III. Quantum formulation.
@en
P2860
P356
P1476
Differential geometry based solvation model. III. Quantum formulation.
@en
P2093
Guo-Wei Wei
P2860
P304
P356
10.1063/1.3660212
P407
P577
2011-11-01T00:00:00Z