Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials.
about
CHARMM: the biomolecular simulation programMolecular determinants for the complex binding specificity of the PDZ domain in PICK1Factors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations.Development and application of hybrid structure based method for efficient screening of ligands binding to G-protein coupled receptors.Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer.Probing the structural determinants for the function of intracellular loop 2 in structurally cognate G-protein-coupled receptors.Detection and characterization of nonspecific, sparsely populated binding modes in the early stages of complexation.Parallel Generalized Born Implicit Solvent Calculations with NAMD.Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: calculation of structural and dynamic properties.Replica exchanging self-guided Langevin dynamics for efficient and accurate conformational samplingWeak intra-ring allosteric communications of the archaeal chaperonin thermosome revealed by normal mode analysisImplicit treatment of solvent dispersion forces in protein simulations.GPU/CPU Algorithm for Generalized Born/Solvent-Accessible Surface Area Implicit Solvent Calculations.Hallucinogen actions on 5-HT receptors reveal distinct mechanisms of activation and signaling by G protein-coupled receptors.Evidence that proline focuses movement of the floppy loop of arylalkylamine N-acetyltransferase (EC 2.3.1.87).Generating reservoir conformations for replica exchange through the use of the conformational space annealing methodLiquid-structure forces and electrostatic modulation of biomolecular interactions in solutionIntramolecular disulfide bonds of the prolactin receptor short form are required for its inhibitory action on the function of the long form of the receptor.Specific and non-specific protein association in solution: computation of solvent effects and prediction of first-encounter modes for efficient configurational bias Monte Carlo simulations.Computational study of the inhibitory mechanism of the kinase CDK5 hyperactivity by peptide p5 and derivation of a pharmacophore.Evaluating the dynamics and electrostatic interactions of folded proteins in implicit solvents.Folding thermodynamics of peptides.Mechanistic insights from a refined three-dimensional model of integrin alphaIIbbeta3.Water-exclusion and liquid-structure forces in implicit solvation.Normal mode partitioning of Langevin dynamics for biomolecules.Multiscale dynamics of macromolecules using normal mode Langevin.Altered secondary structure of Dynorphin A associates with loss of opioid signalling and NMDA-mediated excitotoxicity in SCA23.Molecular modeling and molecular dynamics simulation studies of Delta-Notch complex
P2860
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P2860
Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials.
description
2003 nî lūn-bûn
@nan
2003 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Molecular dynamics simulations ...... n screened Coulomb potentials.
@ast
Molecular dynamics simulations ...... n screened Coulomb potentials.
@en
type
label
Molecular dynamics simulations ...... n screened Coulomb potentials.
@ast
Molecular dynamics simulations ...... n screened Coulomb potentials.
@en
prefLabel
Molecular dynamics simulations ...... n screened Coulomb potentials.
@ast
Molecular dynamics simulations ...... n screened Coulomb potentials.
@en
P2093
P356
P1433
P1476
Molecular dynamics simulations ...... on screened Coulomb potentials
@en
P2093
Daqun Zhang
Ernest L Mehler
Sergio A Hassan
P2860
P304
P356
10.1002/PROT.10330
P407
P577
2003-04-01T00:00:00Z