Efficient sampling of protein structures by model hopping.
about
pKa of residue 66 in Staphylococal nuclease. I. Insights from QM/MM simulations with conventional sampling.Identifying low variance pathways for free energy calculations of molecular transformations in solution phase.Optimal pairwise and non-pairwise alchemical pathways for free energy calculations of molecular transformation in solution phase.Random walk in orthogonal space to achieve efficient free-energy simulation of complex systemsMimicking the action of folding chaperones by Hamiltonian replica-exchange molecular dynamics simulations: application in the refinement of de novo models.Simple continuous and discrete models for simulating replica exchange simulations of protein folding.Computing Relative Free Energies of Solvation using Single Reference Thermodynamic Integration Augmented with Hamiltonian Replica ExchangeHydrophobic aided replica exchange: an efficient algorithm for protein folding in explicit solvent.Folding of proteins with diverse foldsImproved Binding Free Energy Predictions from Single-Reference Thermodynamic Integration Augmented with Hamiltonian Replica ExchangeMolecular investigations into the mechanics of a muscle anchoring complex.Folding free-energy landscape of villin headpiece subdomain from molecular dynamics simulationsUnderstanding protein folding: small proteins in silico.Replica Exchange and Multicanonical Algorithms with the coarse-grained UNRES force field.Roles of boundary conditions in DNA simulations: analysis of ion distributions with the finite-difference Poisson-Boltzmann methodApplication of nonlinear dimensionality reduction to characterize the conformational landscape of small peptides.An alternative approach to protein folding.Self-learning multiscale simulation for achieving high accuracy and high efficiency simultaneously.Dissociation aided and side chain sampling enhanced Hamiltonian replica exchange.Enhanced conformational sampling of nucleic acids by a new Hamiltonian replica exchange molecular dynamics approach.Replica exchange and expanded ensemble simulations as Gibbs sampling: simple improvements for enhanced mixing.A convective replica-exchange method for sampling new energy basins.Multifunnel Landscape of the Fold-Switching Protein RfaH-CTD.Conversion between parallel and antiparallel β-sheets in wild-type and Iowa mutant Aβ40 fibrils.On easy implementation of a variant of the replica exchange with solute tempering in GROMACS.Mimicking coarse-grained simulations without coarse-graining: enhanced sampling by damping short-range interactions.Simulated-tempering replica-exchange method for the multidimensional version.Multidimensional generalized-ensemble algorithms for complex systems.Backbone and side-chain ordering in a small protein.Generalized ensemble and tempering simulations: a unified view.Optimized parallel tempering simulations of proteins.Replica exchange with guided annealing for accelerated sampling of disordered protein conformations.Conformational Search for the Protein Native StateQuantitative computer simulations of biomolecules: A snapshot
P2860
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P2860
Efficient sampling of protein structures by model hopping.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年学术文章
@wuu
2005年学术文章
@zh
2005年学术文章
@zh-cn
2005年学术文章
@zh-hans
2005年学术文章
@zh-my
2005年学术文章
@zh-sg
2005年學術文章
@yue
2005年學術文章
@zh-hant
name
Efficient sampling of protein structures by model hopping.
@en
Efficient sampling of protein structures by model hopping.
@nl
type
label
Efficient sampling of protein structures by model hopping.
@en
Efficient sampling of protein structures by model hopping.
@nl
prefLabel
Efficient sampling of protein structures by model hopping.
@en
Efficient sampling of protein structures by model hopping.
@nl
P2860
P1476
Efficient sampling of protein structures by model hopping
@en
P2093
Wooseop Kwak
P2860
P304
P356
10.1103/PHYSREVLETT.95.138102
P407
P577
2005-09-22T00:00:00Z