about
Markov state models of biomolecular conformational dynamicsTheoretical and computational validation of the Kuhn barrier friction mechanism in unfolded proteins.Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitionsAutomatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations.Multiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning.How conformational dynamics of DNA polymerase select correct substrates: experiments and simulations.Early events in helix unfolding under external forces: a milestoning analysis.Simple few-state models reveal hidden complexity in protein folding.A geometrical approach to computing free-energy landscapes from short-ranged potentials.Simulations of thermodynamics and kinetics on rough energy landscapes with milestoning.Perspective: Computer simulations of long time dynamicsMarkov State Models and tICA Reveal a Nonnative Folding Nucleus in Simulations of NuG2.Analyzing milestoning networks for molecular kinetics: definitions, algorithms, and examples.To milliseconds and beyond: challenges in the simulation of protein folding.Catch bond-like kinetics of helix cracking: network analysis by molecular dynamics and milestoning.Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations.Set-free Markov state model building.MSMBuilder2: Modeling Conformational Dynamics at the Picosecond to Millisecond Scale.Accurate Estimation of Protein Folding and Unfolding Times: Beyond Markov State Models.Estimation and uncertainty of reversible Markov models.Projected metastable Markov processes and their estimation with observable operator models.Improvements in Markov State Model Construction Reveal Many Non-Native Interactions in the Folding of NTL9.Spectral Rate Theory for Two-State Kinetics.DNA-Binding Kinetics Determines the Mechanism of Noise-Induced Switching in Gene NetworksExperiments and comprehensive simulations of the formation of a helical turnAn adaptive weighted ensemble procedure for efficient computation of free energies and first passage rates.Exact milestoning.Extracting the diffusion tensor from molecular dynamics simulation with Milestoning.Milestoning with coarse memory.Dynamic neutron scattering from conformational dynamics. I. Theory and Markov models.Adaptive spectral clustering with application to tripeptide conformation analysis.Hierarchical Nyström methods for constructing Markov state models for conformational dynamics.Computation of transit times using the milestoning method with applications to polymer translocation.Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm.A new class of enhanced kinetic sampling methods for building Markov state models.A Markov state modeling analysis of sliding dynamics of a 2D model.The spatiotemporal master equation: Approximation of reaction-diffusion dynamics via Markov state modeling.Girsanov reweighting for path ensembles and Markov state models.Quantifying Allosteric Communication via Both Concerted Structural Changes and Conformational Disorder with CARDS.SEEKR: Simulation Enabled Estimation of Kinetic Rates, A Computational Tool to Estimate Molecular Kinetics and Its Application to Trypsin-Benzamidine Binding.
P2860
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P2860
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年学术文章
@wuu
2011年学术文章
@zh
2011年学术文章
@zh-cn
2011年学术文章
@zh-hans
2011年学术文章
@zh-my
2011年学术文章
@zh-sg
2011年學術文章
@yue
2011年學術文章
@zh-hant
name
Markov state models based on milestoning.
@en
Markov state models based on milestoning.
@nl
type
label
Markov state models based on milestoning.
@en
Markov state models based on milestoning.
@nl
prefLabel
Markov state models based on milestoning.
@en
Markov state models based on milestoning.
@nl
P2093
P2860
P356
P1476
Markov state models based on milestoning.
@en
P2093
Christof Schütte
Marco Sarich
P2860
P304
P356
10.1063/1.3590108
P407
P577
2011-05-01T00:00:00Z