Hidden complexity of free energy surfaces for peptide (protein) folding
about
All-atom model for stabilization of alpha-helical structure in peptides by hydrocarbon staples.CHARMM: the biomolecular simulation programPrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsMolecular dynamics and protein function.Exploring the free energy landscape: from dynamics to networks and backThe redundancy of NMR restraints can be used to accelerate the unfolding behavior of an SH3 domain during molecular dynamics simulationsFolding energy landscape and network dynamics of small globular proteinsEvolution, energy landscapes and the paradoxes of protein folding.A comparative analysis of clustering algorithms: O2 migration in truncated hemoglobin I from transition networks.Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force fieldWordom: a user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces.Euclidean sections of protein conformation space and their implications in dimensionality reduction.Computational investigation of RNA CUG repeats responsible for myotonic dystrophy 1Inherent structure versus geometric metric for state space discretization.Folding and unfolding of a photoswitchable peptide from picoseconds to microseconds.Development of a technique for the investigation of folding dynamics of single proteins for extended time periodsHigh resolution approach to the native state ensemble kinetics and thermodynamics.Analysis of the free-energy surface of proteins from reversible folding simulations.Gaussian-mixture umbrella sampling.Is protein folding sub-diffusive?Regulation of the Apelinergic System and Its Potential in Cardiovascular Disease: Peptides and Small Molecules as Tools for Discovery.Protein dynamics investigated by inherent structure analysis.Recent developments in methods for identifying reaction coordinates.Protein folding by distributed computing and the denatured state ensemble.Recovering kinetics from a simplified protein folding model using replica exchange simulations: a kinetic network and effective stochastic dynamics.Folding network of villin headpiece subdomain.Quantitative analysis of ligand migration from transition networksFree-energy landscape of the GB1 hairpin in all-atom explicit solvent simulations with different force fields: Similarities and differencesObservation of two families of folding pathways of BBL.Microscopic events in β-hairpin folding from alternative unfolded ensemblesTopographical complexity of multidimensional energy landscapes.Variational cross-validation of slow dynamical modes in molecular kinetics.Deconvoluting Protein (Un)folding Structural Ensembles Using X-Ray Scattering, Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation.Protein folding as a complex reaction: a two-component potential for the driving force of folding and its variation with folding scenario.Systematically constructing kinetic transition network in polypeptide from top to down: trajectory mapping.Complex network analysis of free-energy landscapesEffects of two solvent conditions on the free energy landscape of the BBL peripheral subunit binding domainHidden protein folding pathways in free-energy landscapes uncovered by network analysis.Construction of effective free energy landscape from single-molecule time series.Interaction Networks in Protein Folding via Atomic-Resolution Experiments and Long-Time-Scale Molecular Dynamics Simulations
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Hidden complexity of free energy surfaces for peptide (protein) folding
description
article científic
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article scientifique
@fr
articolo scientifico
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artigo científico
@pt
bilimsel makale
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scientific article published on 04 October 2004
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vedecký článok
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vetenskaplig artikel
@sv
videnskabelig artikel
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vědecký článek
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name
Hidden complexity of free energy surfaces for peptide (protein) folding
@en
Hidden complexity of free energy surfaces for peptide
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type
label
Hidden complexity of free energy surfaces for peptide (protein) folding
@en
Hidden complexity of free energy surfaces for peptide
@nl
prefLabel
Hidden complexity of free energy surfaces for peptide (protein) folding
@en
Hidden complexity of free energy surfaces for peptide
@nl
P2860
P356
P1476
Hidden complexity of free energy surfaces for peptide (protein) folding
@en
P2093
Sergei V Krivov
P2860
P304
14766-14770
P356
10.1073/PNAS.0406234101
P407
P577
2004-10-04T00:00:00Z