An efficient hybrid explicit/implicit solvent method for biomolecular simulations
about
Prediction of water and metal binding sites and their affinities by using the Fold-X force field.MD Simulations of tRNA and Aminoacyl-tRNA Synthetases: Dynamics, Folding, Binding, and AllosteryBiomolecular electrostatics and solvation: a computational perspectiveA Sixth-order Image Approximation to the Ionic Solvent Induced Reaction Field"Solvent hydrogen-bond occlusion": A new model of polar desolvation for biomolecular energetics.A robust numerical method for self-polarization energy of spherical quantum dots with finite confinement barriers.Extending RosettaDock with water, sugar, and pH for prediction of complex structures and affinities for CAPRI rounds 20-27Differential geometry based solvation model I: Eulerian formulation.A comparable study of image approximations to the reaction field.Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations.New Versions of Image Approximations to the Ionic Solvent Induced Reaction Field.Modeling aqueous solvation with semi-explicit assembly.Differential geometry based solvation model II: Lagrangian formulation.Multilevel summation method for electrostatic force evaluationOn the role of electrostatics in protein-protein interactions.A smoothly decoupled particle interface: new methods for coupling explicit and implicit solventConstant pH Molecular Dynamics Simulations of Nucleic Acids in Explicit Solvent.Optimization of the GB/SA solvation model for predicting the structure of surface loops in proteins.Extending the Fast Multipole Method for Charges inside a Dielectric Sphere in an Ionic Solvent: High Order Image Approximations for Reaction FieldsEffect of the Reaction Field on Molecular Forces and Torques Revealed by an Image-Charge Solvation Model.Generalized image charge solvation model for electrostatic interactions in molecular dynamics simulations of aqueous solutions.Electrostatic potential of point charges inside dielectric prolate spheroids.An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions.Using DelPhi capabilities to mimic protein's conformational reorganization with amino acid specific dielectric constants.Electrostatics in proteins and protein-ligand complexes.Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations.Molecular modeling of nucleic Acid structure: electrostatics and solvation.Conformational energy range of ligands in protein crystal structures: The difficult quest for accurate understanding.Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations.Field-SEA: a model for computing the solvation free energies of nonpolar, polar, and charged solutes in water.Minimalist explicit solvation models for surface loops in proteins.Insights into protein - DNA interactions, stability and allosteric communications: a computational study of mutSα-DNA recognition complexesAssessing the performance of implicit solvation models at a nucleic acid surface.Calculation of absolute protein-ligand binding affinity using path and endpoint approaches.The molecular origin of the MMR-dependent apoptosis pathway from dynamics analysis of MutSα-DNA complexes.Polarizable molecular dynamics in a polarizable continuum solventAn N log N approximation based on the natural organization of biomolecules for speeding up the computation of long range interactions.Finite domain simulations with adaptive boundaries: accurate potentials and nonequilibrium movesets.A mean field approach for molecular simulations of fluid systems.Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory.
P2860
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P2860
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
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
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
@ast
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
@en
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
@nl
type
label
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
@ast
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
@en
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
@nl
prefLabel
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
@ast
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
@en
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
@nl
P356
P1476
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
@en
P2093
Mark A Olson
Michael S Lee
P304
P356
10.1002/JCC.20119
P407
P577
2004-12-01T00:00:00Z