Improving implicit solvent simulations: a Poisson-centric view.
about
Prediction of water and metal binding sites and their affinities by using the Fold-X force field.Accurate, conformation-dependent predictions of solvent effects on protein ionization constantsMolecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithmsBiomolecular electrostatics and solvation: a computational perspectiveDesign and application of implicit solvent models in biomolecular simulationsA buried lysine that titrates with a normal pKa: Role of conformational flexibility at the protein-water interface as a determinant of pKavaluesImproved in-cell structure determination of proteins at near-physiological concentrationPDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulationsFactors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations.A practical implicit solvent potential for NMR structure calculation.Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.High quality NMR structures: a new force field with implicit water and membrane solvation for Xplor-NIH."Solvent hydrogen-bond occlusion": A new model of polar desolvation for biomolecular energetics.Heat conductivity of DNA double helixPacking interface energetics in different crystal forms of the λ Cro dimer.The AGBNP2 Implicit Solvation Model.Methods for Monte Carlo simulations of biomacromoleculesImage Charge Methods for a Three-Dielectric-Layer Hybrid Solvation Model of Biomolecules.Using interpolation for fast and accurate calculation of ion-ion interactionsDifferential geometry based solvation model I: Eulerian formulation.Bluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii.A comparable study of image approximations to the reaction field.Generalized Born model with a simple, robust molecular volume correctionMolecular 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.New Versions of Image Approximations to the Ionic Solvent Induced Reaction Field.iAPBS: a programming interface to Adaptive Poisson-Boltzmann Solver (APBS).Speed of conformational change: comparing explicit and implicit solvent molecular dynamics simulationsExploring a charge-central strategy in the solution of Poisson's equation for biomolecular applicationsIonic solvation studied by image-charge reaction field method.Assessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume termsIon-mediated nucleic acid helix-helix interactionsDifferential geometry based solvation model II: Lagrangian formulation.KECSA-Movable Type Implicit Solvation Model (KMTISM).Fast Calculations of Electrostatic Solvation Free Energy from Reconstructed Solvent Density using proximal Radial Distribution FunctionsExploring a coarse-grained distributive strategy for finite-difference Poisson-Boltzmann calculations.Parallel Generalized Born Implicit Solvent Calculations with NAMD.Dielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies.Numerical calculation of protein-ligand binding rates through solution of the Smoluchowski equation using smoothed particle hydrodynamicsToward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization.RNA helix stability in mixed Na+/Mg2+ solution
P2860
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P2860
Improving implicit solvent simulations: a Poisson-centric view.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
2005年论文
@zh
2005年论文
@zh-cn
name
Improving implicit solvent simulations: a Poisson-centric view.
@ast
Improving implicit solvent simulations: a Poisson-centric view.
@en
type
label
Improving implicit solvent simulations: a Poisson-centric view.
@ast
Improving implicit solvent simulations: a Poisson-centric view.
@en
prefLabel
Improving implicit solvent simulations: a Poisson-centric view.
@ast
Improving implicit solvent simulations: a Poisson-centric view.
@en
P1476
Improving implicit solvent simulations: a Poisson-centric view.
@en
P304
P356
10.1016/J.SBI.2005.02.001
P50
P577
2005-04-01T00:00:00Z