Improvements in Markov State Model Construction Reveal Many Non-Native Interactions in the Folding of NTL9.
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Markov state models of biomolecular conformational dynamicsMarkov state models provide insights into dynamic modulation of protein functionBridge helix bending promotes RNA polymerase II backtracking through a critical and conserved threonine residueUsing Markov state models to study self-assemblyA molecular interpretation of 2D IR protein folding experiments with Markov state modelsEvolution, energy landscapes and the paradoxes of protein folding.Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes.Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations.Complex pathways in folding of protein G explored by simulation and experiment.Balanced Protein-Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein AssociationPredicting the Kinetics of RNA Oligonucleotides Using Markov State Models.On the Application of Molecular-Dynamics Based Markov State Models to Functional Proteins.Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations.Structural disorder of folded proteins: isotope-edited 2D IR spectroscopy and Markov state modeling.Variational cross-validation of slow dynamical modes in molecular kinetics.Systematically constructing kinetic transition network in polypeptide from top to down: trajectory mapping.Free energy landscape of activation in a signalling protein at atomic resolution.Efficient maximum likelihood parameterization of continuous-time Markov processes.Modeling molecular kinetics with tICA and the kernel trickMSMBuilder: Statistical Models for Biomolecular Dynamics.Exploration of gated ligand binding recognizes an allosteric site for blocking FABP4-protein interaction.Conformational heterogeneity of the calmodulin binding interface.Markov State Models and tICA Reveal a Nonnative Folding Nucleus in Simulations of NuG2.Stochastic steps in secondary active sugar transport.Conformational Heterogeneity in the Michaelis Complex of Lactate Dehydrogenase: An Analysis of Vibrational Spectroscopy Using Markov and Hidden Markov ModelsMultiensemble Markov models of molecular thermodynamics and kinetics.Markov models of the apo-MDM2 lid region reveal diffuse yet two-state binding dynamics and receptor poses for computational docking.Native contacts determine protein folding mechanisms in atomistic simulations.Elucidation of the Dynamics of Transcription Elongation by RNA Polymerase II using Kinetic Network ModelsA Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter.Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY.Computational Membrane Biophysics: From Ion Channels Interactions with Drugs to Cellular Function.Bridging Microscopic and Macroscopic Mechanisms of p53-MDM2 Binding with Kinetic Network Models.Combining experimental and simulation data of molecular processes via augmented Markov models.Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations.Elucidation of the conformational dynamics of multi-body systems by construction of Markov state models.Optimized parameter selection reveals trends in Markov state models for protein folding.Accurate Estimation of Protein Folding and Unfolding Times: Beyond Markov State Models.T7 RNA polymerase translocation is facilitated by a helix opening on the fingers domain that may also prevent backtracking.Estimation and uncertainty of reversible Markov models.
P2860
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P2860
Improvements in Markov State Model Construction Reveal Many Non-Native Interactions in the Folding of NTL9.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Improvements in Markov State M ...... ctions in the Folding of NTL9.
@en
type
label
Improvements in Markov State M ...... ctions in the Folding of NTL9.
@en
prefLabel
Improvements in Markov State M ...... ctions in the Folding of NTL9.
@en
P2860
P356
P1476
Improvements in Markov State M ...... ctions in the Folding of NTL9.
@en
P2093
Christian R Schwantes
Vijay S Pande
P2860
P304
P356
10.1021/CT300878A
P577
2013-04-01T00:00:00Z