Understanding folding and design: replica-exchange simulations of "Trp-cage" miniproteins.
about
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulationsUnfolded-state dynamics and structure of protein L characterized by simulation and experimentMolecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)Balancing solvation and intramolecular interactions: toward a consistent generalized Born force fieldHigh-temperature unfolding of a trp-cage mini-protein: a molecular dynamics simulation studyThe Trp-cage: optimizing the stability of a globular miniproteinComputational Design of Thermostabilizing d -Amino Acid SubstitutionsThe Native GCN4 Leucine-Zipper Domain Does Not Uniquely Specify a Dimeric Oligomerization StateThe Amber biomolecular simulation programsThe unfolded state of the villin headpiece helical subdomain: computational studies of the role of locally stabilized structureThe protein folding problemCalculation of the free energy and cooperativity of protein foldingDevelopment of an improved four-site water model for biomolecular simulations: TIP4P-EwEffects of frustration, confinement, and surface interactions on the dimerization of an off-lattice beta-barrel protein.Protein folding by zipping and assemblyProtein structure prediction: assembly of secondary structure elements by basin-hopping.Ab initio protein structure prediction with force field parameters derived from water-phase quantum chemical calculation.A test on peptide stability of AMBER force fields with implicit solvationBlind test of physics-based prediction of protein structures.Temperature-induced unfolding of epidermal growth factor (EGF): insight from molecular dynamics simulationTrends in template/fragment-free protein structure predictionFolding of small proteins using constrained molecular dynamicsProtein structure prediction using global optimization by basin-hopping with NMR shift restraints.Trp-cage: folding free energy landscape in explicit water.Sampling the multiple folding mechanisms of Trp-cage in explicit solventPhylogeny of protein-folding trajectories reveals a unique pathway to native structure.Conformational space search of Neuromedin C using replica exchange molecular dynamics and molecular dynamics.The AGBNP2 Implicit Solvation Model.Energy landscape of amyloidogenic peptide oligomerization by parallel-tempering molecular dynamics simulation: significant role of Asn ladder.The folding transition-state ensemble of a four-helix bundle protein: helix propensity as a determinant and macromolecular crowding as a probe.Protonation/deprotonation effects on the stability of the Trp-cage miniprotein.Enhanced sampling and applications in protein folding in explicit solvent.A structural model of polyglutamine determined from a host-guest method combining experiments and landscape theory.Folding Trp-cage to NMR resolution native structure using a coarse-grained protein modelElucidating protein thermodynamics from the three-dimensional structure of the native state using network rigidity.Molecular mechanism for stabilizing a short helical peptide studied by generalized-ensemble simulations with explicit solvent.Mimicking the action of folding chaperones by Hamiltonian replica-exchange molecular dynamics simulations: application in the refinement of de novo models.Free energy landscapes for amyloidogenic tetrapeptides dimerization.Challenges in protein folding simulations: Timescale, representation, and analysisKinetic network study of the diversity and temperature dependence of Trp-Cage folding pathways: combining transition path theory with stochastic simulations.
P2860
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P2860
Understanding folding and design: replica-exchange simulations of "Trp-cage" miniproteins.
description
2003 nî lūn-bûn
@nan
2003 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի հունիսին 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
Understanding folding and desi ...... ns of "Trp-cage" miniproteins.
@ast
Understanding folding and desi ...... ns of "Trp-cage" miniproteins.
@en
type
label
Understanding folding and desi ...... ns of "Trp-cage" miniproteins.
@ast
Understanding folding and desi ...... ns of "Trp-cage" miniproteins.
@en
prefLabel
Understanding folding and desi ...... ns of "Trp-cage" miniproteins.
@ast
Understanding folding and desi ...... ns of "Trp-cage" miniproteins.
@en
P2860
P356
P1476
Understanding folding and desi ...... ns of "Trp-cage" miniproteins.
@en
P2093
Jed W Pitera
William Swope
P2860
P304
P356
10.1073/PNAS.1330954100
P407
P577
2003-06-13T00:00:00Z