Protein folding pathways from replica exchange simulations and a kinetic network model.
about
Taming the complexity of protein foldingModeling conformational ensembles of slow functional motions in Pin1-WWUsing massively parallel simulation and Markovian models to study protein folding: examining the dynamics of the villin headpieceCalculation of the free energy and cooperativity of protein foldingUsing Markov state models to study self-assemblyIntegrated Modeling Program, Applied Chemical Theory (IMPACT)Inherent structure versus geometric metric for state space discretization.Reversible folding simulation by hybrid Hamiltonian replica exchange.Reactive flux and folding pathways in network models of coarse-grained protein dynamics.The AGBNP2 Implicit Solvation Model.Protein folded states are kinetic hubs.Network models for molecular kinetics and their initial applications to human healthFibril elongation by Aβ(17-42): kinetic network analysis of hybrid-resolution molecular dynamics simulationsRecovering kinetics from a simplified protein folding model using replica exchange simulations: a kinetic network and effective stochastic dynamics.Asynchronous replica exchange for molecular simulationsSimple continuous and discrete models for simulating replica exchange simulations of protein folding.Mechanism of fiber assembly: treatment of Aβ peptide aggregation with a coarse-grained united-residue force field.Universality in the timescales of internal loop formation in unfolded proteins and single-stranded oligonucleotides.Free-energy landscape of the GB1 hairpin in all-atom explicit solvent simulations with different force fields: Similarities and differencesThe stability of monomeric intermediates controls amyloid formation: Abeta25-35 and its N27Q mutant.Building Markov state models with solvent dynamics.Kinetic network study of the diversity and temperature dependence of Trp-Cage folding pathways: combining transition path theory with stochastic simulations.The temperature intervals with global exchange of replicas empirical accelerated sampling method: parameter sensitivity and extension to a complex molecular system.Computational design and experimental discovery of an antiestrogenic peptide derived from alpha-fetoproteinInsights into the dynamics of HIV-1 protease: a kinetic network model constructed from atomistic simulations.Microscopic events in β-hairpin folding from alternative unfolded ensemblesUnderstanding ensemble protein folding at atomic detailPredicting the folding pathway of engrailed homeodomain with a probabilistic roadmap enhanced reaction-path algorithmModeling heme proteins using atomistic simulations.Ensemble-based characterization of unbound and bound states on protein energy landscape.NMR relaxation in proteins with fast internal motions and slow conformational exchange: model-free framework and Markov state simulationsCOCIS: Markov processes in single molecule fluorescence.How kinetics within the unfolded state affects protein folding: an analysis based on markov state models and an ultra-long MD trajectoryTIGER2: an improved algorithm for temperature intervals with global exchange of replicas.Graph representation of protein free energy landscapeGenerative models of conformational dynamics.Exploring the role of internal friction in the dynamics of unfolded proteins using simple polymer models.Estimating first-passage time distributions from weighted ensemble simulations and non-Markovian analyses.Computational approaches for the design of peptides with anti-breast cancer properties.Folding thermodynamics of β-hairpins studied by replica-exchange molecular dynamics simulations.
P2860
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P2860
Protein folding pathways from replica exchange simulations and a kinetic network model.
description
2005 nî lūn-bûn
@nan
2005 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի մարտին հրատարակված գիտական հոդված
@hy
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
name
Protein folding pathways from replica exchange simulations and a kinetic network model.
@ast
Protein folding pathways from replica exchange simulations and a kinetic network model.
@en
type
label
Protein folding pathways from replica exchange simulations and a kinetic network model.
@ast
Protein folding pathways from replica exchange simulations and a kinetic network model.
@en
prefLabel
Protein folding pathways from replica exchange simulations and a kinetic network model.
@ast
Protein folding pathways from replica exchange simulations and a kinetic network model.
@en
P2093
P2860
P356
P1476
Protein folding pathways from replica exchange simulations and a kinetic network model.
@en
P2093
Anthony K Felts
Emilio Gallicchio
Michael Andrec
Ronald M Levy
P2860
P304
P356
10.1073/PNAS.0408970102
P407
P577
2005-03-30T00:00:00Z