Spatial decomposition of solvation free energy based on the 3D integral equation theory of molecular liquid: application to miniproteins.
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Temperature and pressure denaturation of chignolin: folding and unfolding simulation by multibaric-multithermal molecular dynamics method.A smoothly decoupled particle interface: new methods for coupling explicit and implicit solventReference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules.Assessing the accuracy of inhomogeneous fluid solvation theory in predicting hydration free energies of simple solutes.Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics.Explicit spatial description of fluid inclusions in porous matrices in terms of an inhomogeneous integral equation.3DRISM-HI-D2MSA: an improved analytic theory to compute solvent structure around hydrophobic solutes with proper treatment of solute–solvent electrostatic interactions
P2860
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P2860
Spatial decomposition of solvation free energy based on the 3D integral equation theory of molecular liquid: application to miniproteins.
description
2010 nî lūn-bûn
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2010年の論文
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2010年学术文章
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2010年学术文章
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2010年学术文章
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name
Spatial decomposition of solva ...... : application to miniproteins.
@en
Spatial decomposition of solva ...... : application to miniproteins.
@nl
type
label
Spatial decomposition of solva ...... : application to miniproteins.
@en
Spatial decomposition of solva ...... : application to miniproteins.
@nl
prefLabel
Spatial decomposition of solva ...... : application to miniproteins.
@en
Spatial decomposition of solva ...... : application to miniproteins.
@nl
P356
P1476
Spatial decomposition of solva ...... : application to miniproteins.
@en
P2093
Andriy Kovalenko
P304
P356
10.1021/JP1082938
P407
P577
2010-12-17T00:00:00Z