Assessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume terms
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Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithmsBiomolecular electrostatics and solvation: a computational perspective14-3-3ζ interacts with stat3 and regulates its constitutive activation in multiple myeloma cellsProtein-protein docking with F(2)Dock 2.0 and GB-rerankImplicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.A test on peptide stability of AMBER force fields with implicit solvationA highly efficient hybrid method for calculating the hydration free energy of a protein.The VSGB 2.0 model: a next generation energy model for high resolution protein structure modeling.Extracting knowledge from protein structure geometryQuantum dynamics in continuum for proton transport II: Variational solvent-solute interfaceDiffusion in crowded biological environments: applications of Brownian dynamics.Computational design of antibody-affinity improvement beyond in vivo maturationAssociation thermodynamics and conformational stability of beta-sheet amyloid beta(17-42) oligomers: effects of E22Q (Dutch) mutation and charge neutralizationIntrinsically disordered regions may lower the hydration free energy in proteins: a case study of nudix hydrolase in the bacterium Deinococcus radiodurans.Defining the pathogenesis of the human Atp12p W94R mutation using a Saccharomyces cerevisiae yeast modelThe AGBNP2 Implicit Solvation Model.Differential geometry based solvation model I: Eulerian formulation.Effects of geometry and chemistry on hydrophobic solvation.iAPBS: a programming interface to Adaptive Poisson-Boltzmann Solver (APBS).Nonlinear Poisson equation for heterogeneous media.Modeling aqueous solvation with semi-explicit assembly.Multibody correlations in the hydrophobic solvation of glycine peptidesMultipole electrostatics in hydration free energy calculations.Virtual screening using molecular simulations.Differential geometry based solvation model II: Lagrangian formulation.A smoothly decoupled particle interface: new methods for coupling explicit and implicit solventImproved Generalized Born Solvent Model Parameters for Protein Simulations.On the energy components governing molecular recognition in the framework of continuum approachesA self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.Variational approach for nonpolar solvation analysis.Recent theoretical and computational advances for modeling protein-ligand binding affinitiesImplicit treatment of solvent dispersion forces in protein simulations.Efficient gaussian density formulation of volume and surface areas of macromolecules on graphical processing units.A "Reverse-Schur" Approach to Optimization With Linear PDE Constraints: Application to Biomolecule Analysis and DesignA polymer physics perspective on driving forces and mechanisms for protein aggregationImplicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations.Parameterization of a geometric flow implicit solvation model.Recent advances in implicit solvent-based methods for biomolecular simulationsA continuum method for determining membrane protein insertion energies and the problem of charged residues.Evaluation of Hydration Free Energy by Level-Set Variational Implicit-Solvent Model with Coulomb-Field Approximation.
P2860
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P2860
Assessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume terms
description
2006 nî lūn-bûn
@nan
2006 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2006 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
name
Assessing implicit models for ...... of dispersion and volume terms
@ast
Assessing implicit models for ...... of dispersion and volume terms
@en
Assessing implicit models for ...... of dispersion and volume terms
@nl
type
label
Assessing implicit models for ...... of dispersion and volume terms
@ast
Assessing implicit models for ...... of dispersion and volume terms
@en
Assessing implicit models for ...... of dispersion and volume terms
@nl
prefLabel
Assessing implicit models for ...... of dispersion and volume terms
@ast
Assessing implicit models for ...... of dispersion and volume terms
@en
Assessing implicit models for ...... of dispersion and volume terms
@nl
P2860
P356
P1476
Assessing implicit models for ...... of dispersion and volume terms
@en
P2093
Jason A Wagoner
P2860
P304
P356
10.1073/PNAS.0600118103
P407
P50
P577
2006-05-18T00:00:00Z