Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
about
Everything you wanted to know about Markov State Models but were afraid to askTaming the complexity of protein foldingIntrinsically disordered proteins in a physics-based worldMarkov state model reveals folding and functional dynamics in ultra-long MD trajectoriesMolecular dynamics simulations: advances and applicationsMD Simulations of tRNA and Aminoacyl-tRNA Synthetases: Dynamics, Folding, Binding, and AllosteryConformational selection in protein binding and functionDesign and application of implicit solvent models in biomolecular simulationsRecent advances in QM/MM free energy calculations using reference potentialsToward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data ArchiveThe dynamic conformational cycle of the group I chaperonin C-termini revealed via molecular dynamics simulationThe free energy landscape of small molecule unbindingA structural and energetic model for the slow-onset inhibition of the Mycobacterium tuberculosis enoyl-ACP reductase InhA.Energetically significant networks of coupled interactions within an unfolded proteinExtending fragment-based free energy calculations with library Monte Carlo simulation: annealing in interaction spaceAccelerated convergence of molecular free energy via superposition approximation-based reference statesA role for both conformational selection and induced fit in ligand binding by the LAO proteinQuantitatively characterizing the ligand binding mechanisms of choline binding protein using Markov state model analysisStart2Fold: a database of hydrogen/deuterium exchange data on protein folding and stabilityUsing Markov state models to study self-assemblyA molecular interpretation of 2D IR protein folding experiments with Markov state modelsSlow unfolded-state structuring in Acyl-CoA binding protein folding revealed by simulation and experimentA simple model predicts experimental folding rates and a hub-like topologyMultiscale Modeling of Biological Functions: From Enzymes to Molecular Machines (Nobel Lecture)Transient helical structure during PI3K and Fyn SH3 domain folding.Emerging Computational Methods for the Rational Discovery of Allosteric Drugs.Evolution, energy landscapes and the paradoxes of protein folding.Partial unfolding and refolding for structure refinement: A unified approach of geometric simulations and molecular dynamics.Trends in template/fragment-free protein structure predictionFast side chain replacement in proteins using a coarse-grained approach for evaluating the effects of mutation during evolution.Solvent effect on the folding dynamics and structure of E6-associated protein characterized from ab initio protein folding simulations.A bundling of viral fusion mechanisms.Internal Dynamics of a Coarse-Grained Protein Using Analytical Harmonic Representation.Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations.Kinetic characterization of the critical step in HIV-1 protease maturationMillisecond dynamics of RNA polymerase II translocation at atomic resolutionInherent structure versus geometric metric for state space discretization.The non-uniform early structural response of globular proteins to cold denaturing conditions: a case study with Yfh1.Signatures of protein thermal denaturation and local hydrophobicity in domain specific hydration behavior: a comparative molecular dynamics study.Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes.
P2860
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P2860
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
description
2010 nî lūn-bûn
@nan
2010 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
@ast
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
@en
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
@nl
type
label
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
@ast
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
@en
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
@nl
prefLabel
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
@ast
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
@en
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
@nl
P2093
P2860
P3181
P356
P1476
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
@en
P2093
Gregory R Bowman
Kyle Beauchamp
Vijay S Pande
P2860
P304
P3181
P356
10.1021/JA9090353
P407
P577
2010-02-01T00:00:00Z