Implementation and testing of stable, fast implicit solvation in molecular dynamics using the smooth-permittivity finite difference Poisson-Boltzmann method.
about
Balancing solvation and intramolecular interactions: toward a consistent generalized Born force fieldOn the relationship between NMR-derived amide order parameters and protein backbone entropy changesProgress in developing Poisson-Boltzmann equation solvers.Differential geometry based solvation model I: Eulerian formulation.Molecular dynamics simulations of the 136 unique tetranucleotide sequences of DNA oligonucleotides. II: sequence context effects on the dynamical structures of the 10 unique dinucleotide steps.Differential geometry based solvation model II: Lagrangian formulation.Long range Debye-Hückel correction for computation of grid-based electrostatic forces between biomacromolecules.Dielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies.Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations.Protein-solvent interactionsSecondary structure bias in generalized Born solvent models: comparison of conformational ensembles and free energy of solvent polarization from explicit and implicit solvationPolarizable atomic multipole solutes in a Poisson-Boltzmann continuumMolecular dynamics simulations of PIP2 and PIP3 in lipid bilayers: determination of ring orientation, and the effects of surface roughness on a Poisson-Boltzmann description.Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations.Automatic parametrization of non-polar implicit solvent models for the blind prediction of solvation free energies.Using electronic polarization from the internal continuum (EPIC) for intermolecular interactionsAchieving Energy Conservation in Poisson-Boltzmann Molecular Dynamics: Accuracy and Precision with Finite-Difference AlgorithmsExploring accurate Poisson-Boltzmann methods for biomolecular simulations.An analytical approach to computing biomolecular electrostatic potential. I. Derivation and analysis.Assessing the performance of implicit solvation models at a nucleic acid surface.Multiscale molecular dynamics using the matched interface and boundary method.On the Dielectric Boundary in Poisson-Boltzmann CalculationsDifferential geometry based multiscale models.Multiscale geometric modeling of macromolecules I: Cartesian representationQuantitative analysis of Poisson-Boltzmann implicit solvent in molecular dynamics.Accuracy assessment of the linear Poisson-Boltzmann equation and reparametrization of the OBC generalized Born model for nucleic acids and nucleic acid-protein complexes.Treatment of charge singularities in implicit solvent models.Treatment of geometric singularities in implicit solvent models.GBr6NL: a generalized Born method for accurately reproducing solvation energy of the nonlinear Poisson-Boltzmann equation.Algorithm improvements for molecular dynamics simulationsExplicit ions/implicit water generalized Born model for nucleic acids
P2860
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P2860
Implementation and testing of stable, fast implicit solvation in molecular dynamics using the smooth-permittivity finite difference Poisson-Boltzmann method.
description
2004 nî lūn-bûn
@nan
2004 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
Implementation and testing of ...... ence Poisson-Boltzmann method.
@ast
Implementation and testing of ...... ence Poisson-Boltzmann method.
@en
type
label
Implementation and testing of ...... ence Poisson-Boltzmann method.
@ast
Implementation and testing of ...... ence Poisson-Boltzmann method.
@en
prefLabel
Implementation and testing of ...... ence Poisson-Boltzmann method.
@ast
Implementation and testing of ...... ence Poisson-Boltzmann method.
@en
P2093
P356
P1476
Implementation and testing of ...... ence Poisson-Boltzmann method.
@en
P2093
Kim A Sharp
Ninad V Prabhu
Peijuan Zhu
P304
P356
10.1002/JCC.20138
P577
2004-12-01T00:00:00Z