about
Multiscale multiphysics and multidomain models--flexibility and rigidity.Persistent homology analysis of protein structure, flexibility, and folding.Multidimensional persistence in biomolecular dataOn the Modeling of Polar Component of Solvation Energy using Smooth Gaussian-Based Dielectric Function.On the energy components governing molecular recognition in the framework of continuum approachesEvaluation of Hydration Free Energy by Level-Set Variational Implicit-Solvent Model with Coulomb-Field Approximation.Origin of parameter degeneracy and molecular shape relationships in geometric-flow calculations of solvation free energiesA Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies.Heterogeneous Hydration of p53/MDM2 Complex.Multiscale Multiphysics and Multidomain Models I: Basic Theory.Improvements to the APBS biomolecular solvation software suite.Optimization of the GBMV2 implicit solvent force field for accurate simulation of protein conformational equilibria.Automatic parametrization of non-polar implicit solvent models for the blind prediction of solvation free energies.Communication: Fourier-transform infrared probing of remarkable quantities of gas trapped in cold homogeneously nucleated nanodroplets.Object-oriented Persistent Homology.Multiscale geometric modeling of macromolecules II: Lagrangian representation.Exploring accurate Poisson-Boltzmann methods for biomolecular simulations.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.Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening.ESES: Software for Eulerian solvent excluded surface.The impact of surface area, volume, curvature, and Lennard-Jones potential to solvation modeling.
P2860
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P2860
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
Variational approach for nonpolar solvation analysis.
@ast
Variational approach for nonpolar solvation analysis.
@en
type
label
Variational approach for nonpolar solvation analysis.
@ast
Variational approach for nonpolar solvation analysis.
@en
prefLabel
Variational approach for nonpolar solvation analysis.
@ast
Variational approach for nonpolar solvation analysis.
@en
P2093
P2860
P356
P1476
Variational approach for nonpolar solvation analysis.
@en
P2093
Dennis G Thomas
Jaehun Chun
Peter W Bates
P2860
P304
P356
10.1063/1.4745084
P407
P577
2012-08-01T00:00:00Z