On the Application of Molecular-Dynamics Based Markov State Models to Functional Proteins.
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Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsBridging scales through multiscale modeling: a case study on protein kinase AMarkov state models provide insights into dynamic modulation of protein functionBridge helix bending promotes RNA polymerase II backtracking through a critical and conserved threonine residueEmerging Computational Methods for the Rational Discovery of Allosteric Drugs.Binding Site Configurations Probe the Structure and Dynamics of the Zinc Finger of NEMO (NF-κB Essential Modulator).Inherent structure versus geometric metric for state space discretization.Allostery through the computational microscope: cAMP activation of a canonical signalling domainNetwork representation of conformational transitions between hidden intermediates of Rd-apocytochrome b562Markov models of the apo-MDM2 lid region reveal diffuse yet two-state binding dynamics and receptor poses for computational docking.Elucidation of the Dynamics of Transcription Elongation by RNA Polymerase II using Kinetic Network ModelsElucidation of the conformational dynamics of multi-body systems by construction of Markov state models.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.Modeling the mechanism of CLN025 beta-hairpin formation.Accurately modeling nanosecond protein dynamics requires at least microseconds of simulation.Adaptive partitioning by local density-peaks: An efficient density-based clustering algorithm for analyzing molecular dynamics trajectories.The folding mechanism and key metastable state identification of the PrP127-147 monomer studied by molecular dynamics simulations and Markov state model analysis.Elucidating dominant pathways of the nano-particle self-assembly process.Protein-ligand (un)binding kinetics as a new paradigm for drug discovery at the crossroad between experiments and modelling
P2860
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P2860
On the Application of Molecular-Dynamics Based Markov State Models to Functional Proteins.
description
2014 nî lūn-bûn
@nan
2014 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
name
On the Application of Molecula ...... Models to Functional Proteins.
@ast
On the Application of Molecula ...... Models to Functional Proteins.
@en
On the Application of Molecula ...... Models to Functional Proteins.
@nl
type
label
On the Application of Molecula ...... Models to Functional Proteins.
@ast
On the Application of Molecula ...... Models to Functional Proteins.
@en
On the Application of Molecula ...... Models to Functional Proteins.
@nl
prefLabel
On the Application of Molecula ...... Models to Functional Proteins.
@ast
On the Application of Molecula ...... Models to Functional Proteins.
@en
On the Application of Molecula ...... Models to Functional Proteins.
@nl
P2093
P2860
P356
P1476
On the Application of Molecula ...... Models to Functional Proteins.
@en
P2093
Adam Van Wart
Robert D Malmstrom
Rommie E Amaro
P2860
P304
P356
10.1021/CT5002363
P577
2014-07-01T00:00:00Z