Solvent reaction field potential inside an uncharged globular protein: a bridge between implicit and explicit solvent models?
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Biomolecular electrostatics and solvation: a computational perspectiveAlchemical prediction of hydration free energies for SAMPL.Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE models.Differential geometry based solvation model I: Eulerian formulation.Differential geometry based solvation model II: Lagrangian formulation.Dielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies.Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies.Effect of the Reaction Field on Molecular Forces and Torques Revealed by an Image-Charge Solvation Model.Simulations of a protein crystal: explicit treatment of crystallization conditions links theory and experiment in the streptavidin-biotin complex.Electrostatics in proteins and protein-ligand complexes.Incorporating excluded solvent volume and physical dipoles for computing solvation free energy.On the origin of the electrostatic potential difference at a liquid-vacuum interface.Assessing the performance of implicit solvation models at a nucleic acid surface.Ionic strength independence of charge distributions in solvation of biomolecules.Differential geometry based multiscale models.Incorporating the excluded solvent volume and surface charges for computing solvation free energy.Predicting solvation free energies and thermodynamics in polar solvents and mixtures using a solvation-layer interface condition.Redox entropy of plastocyanin: developing a microscopic view of mesoscopic polar solvation
P2860
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P2860
Solvent reaction field potential inside an uncharged globular protein: a bridge between implicit and explicit solvent models?
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
Solvent reaction field potenti ...... t and explicit solvent models?
@en
type
label
Solvent reaction field potenti ...... t and explicit solvent models?
@en
prefLabel
Solvent reaction field potenti ...... t and explicit solvent models?
@en
P2860
P356
P1476
Solvent reaction field potenti ...... t and explicit solvent models?
@en
P2093
David S Cerutti
P2860
P304
P356
10.1063/1.2771171
P407
P577
2007-10-01T00:00:00Z