Calculation of local water densities in biological systems: a comparison of molecular dynamics simulations and the 3D-RISM-KH molecular theory of solvation.
about
Biomolecular electrostatics and solvation: a computational perspectiveFunctional understanding of solvent structure in GroEL cavity through dipole field analysis.Reference 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.Hierarchical O(N) computation of small-angle scattering profiles and their associated derivatives.Assessing the accuracy of integral equation theories for nano-sized hydrophobic solutes in water.Role of nonspecific interactions in molecular chaperones through model-based bioinformatics.SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.Architecture and Hydration of the Arginine Binding Site of Neuropilin-1.Efficient treatment of solvation shells in 3D molecular theory of solvation.Multiple time step molecular dynamics in the optimized isokinetic ensemble steered with the molecular theory of solvation: accelerating with advanced extrapolation of effective solvation forces.Placevent: an algorithm for prediction of explicit solvent atom distribution-application to HIV-1 protease and F-ATP synthase.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
Calculation of local water densities in biological systems: a comparison of molecular dynamics simulations and the 3D-RISM-KH molecular theory of solvation.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
2010年论文
@zh
2010年论文
@zh-cn
name
Calculation of local water den ...... molecular theory of solvation.
@ast
Calculation of local water den ...... molecular theory of solvation.
@en
type
label
Calculation of local water den ...... molecular theory of solvation.
@ast
Calculation of local water den ...... molecular theory of solvation.
@en
prefLabel
Calculation of local water den ...... molecular theory of solvation.
@ast
Calculation of local water den ...... molecular theory of solvation.
@en
P2093
P2860
P356
P1476
Calculation of local water den ...... molecular theory of solvation.
@en
P2093
Andriy Kovalenko
Martin C Stumpe
Nikolay Blinov
Vijay S Pande
P2860
P304
P356
10.1021/JP102587Q
P407
P577
2010-12-21T00:00:00Z