Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules
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Quantum dynamics in continuum for proton transport--generalized correlation.Gradient Models in Molecular Biophysics: Progress, Challenges, Opportunities.Level-Set Minimization of Potential Controlled Hadwiger Valuations for Molecular Solvation.A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.STABILITY OF A CYLINDRICAL SOLUTE-SOLVENT INTERFACE: EFFECT OF GEOMETRY, ELECTROSTATICS, AND HYDRODYNAMICS.DIFFUSED SOLUTE-SOLVENT INTERFACE WITH POISSON-BOLTZMANN ELECTROSTATICS: FREE-ENERGY VARIATION AND SHARP-INTERFACE LIMITEvaluation of Hydration Free Energy by Level-Set Variational Implicit-Solvent Model with Coulomb-Field Approximation.Yukawa-Field Approximation of Electrostatic Free Energy and Dielectric Boundary Force.Motion of a Cylindrical Dielectric Boundary.Phase-field approach to implicit solvation of biomolecules with Coulomb-field approximation.Mean-field description of ionic size effects with nonuniform ionic sizes: a numerical approachVariational Implicit-Solvent Modeling of Host-Guest Binding: A Case Study on Cucurbit[7]uril|Dielectric Boundary Force in Molecular Solvation with the Poisson-Boltzmann Free Energy: A Shape Derivative ApproachAn Interface-Fitted Finite Element Level Set Method with Application to Solidification and Solvation.Variational Implicit Solvation with Solute Molecular Mechanics: From Diffuse-Interface to Sharp-Interface Models.Interfaces and hydrophobic interactions in receptor-ligand systems: A level-set variational implicit solvent approach.Heterogeneous Hydration of p53/MDM2 Complex.Variational Implicit Solvation with Poisson-Boltzmann Theory.LS-VISM: A software package for analysis of biomolecular solvation."Martinizing" the Variational Implicit Solvent Method (VISM): Solvation Free Energy for Coarse-Grained Proteins.Stochastic level-set variational implicit-solvent approach to solute-solvent interfacial fluctuations.Level-Set Variational Implicit-Solvent Modeling of Biomolecules with the Coulomb-Field Approximation.Tailoring the Variational Implicit Solvent Method for New Challenges: Biomolecular Recognition and Assembly.Molecular density functional theory of solvation: from polar solvents to water.Gaussian-Based Smooth Dielectric Function: A Surface-Free Approach for Modeling Macromolecular Binding in Solvents.
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P2860
Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules
description
article científic
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article scientifique
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articolo scientifico
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artigo científico
@pt
bilimsel makale
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scientific article published on February 2009
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Coupling the Level-Set Method ...... olvation of Nonpolar Molecules
@en
Coupling the Level-Set Method ...... lvation of Nonpolar Molecules.
@nl
type
label
Coupling the Level-Set Method ...... olvation of Nonpolar Molecules
@en
Coupling the Level-Set Method ...... lvation of Nonpolar Molecules.
@nl
prefLabel
Coupling the Level-Set Method ...... olvation of Nonpolar Molecules
@en
Coupling the Level-Set Method ...... lvation of Nonpolar Molecules.
@nl
P2093
P2860
P356
P1476
Coupling the Level-Set Method ...... olvation of Nonpolar Molecules
@en
P2093
Jianwei Che
Joachim Dzubiella
Li-Tien Cheng
P2860
P304
P356
10.1021/CT800297D
P577
2009-02-01T00:00:00Z