(Q51916300)

17 April 2018

title

Hierarchical analysis of conformational dynamics in biomolecules: transition networks of metastable states. (English)

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3

Christof Schütte

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author name string

Frank Noé

series ordinal

1

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17 April 2018

Illia Horenko

series ordinal

2

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Jeremy C Smith

series ordinal

4

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language of work or name

English

0 references

publication date

1 April 2007

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17 April 2018

Journal of Chemical Physics

published in

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volume

126

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issue

15

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17 April 2018

page(s)

155102

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17 April 2018

Foldamer dynamics expressed via Markov state models. I. Explicit solvent molecular-dynamics simulations in acetonitrile, chloroform, methanol, and water

cites work

1 reference

Transition Networks for the Comprehensive Characterization of Complex Conformational Change in Proteins.

21 January 2018

1 reference

Using path sampling to build better Markovian state models: predicting the folding rate and mechanism of a tryptophan zipper beta hairpin

21 January 2018

1 reference

Solvent effects on the energy landscapes and folding kinetics of polyalanine

21 January 2018

1 reference

Folding of the GB1 hairpin peptide from discrete path sampling.

21 January 2018

1 reference

Error analysis and efficient sampling in Markovian state models for molecular dynamics.

21 January 2018

1 reference

Analysis of a complex of statistical variables into principal components

21 January 2018

1 reference

Locally accessible conformations of proteins: multiple molecular dynamics simulations of crambin

21 January 2018

1 reference

Statistical clustering techniques for the analysis of long molecular dynamics trajectories: analysis of 2.2-ns trajectories of YPGDV.

21 January 2018

1 reference

Essential dynamics of reversible peptide folding: memory-free conformational dynamics governed by internal hydrogen bonds.

21 January 2018

1 reference

Simulations of human lysozyme: probing the conformations triggering amyloidosis

21 January 2018

1 reference

Exploring the helix-coil transition via all-atom equilibrium ensemble simulations

21 January 2018

1 reference

Foldamer dynamics expressed via Markov state models. II. State space decomposition

21 January 2018

1 reference

Protein folding pathways from replica exchange simulations and a kinetic network model

21 January 2018

1 reference

Geometric versus topological clustering: an insight into conformation mapping.

21 January 2018

1 reference

A strategy for analysis of (molecular) equilibrium simulations: Configuration space density estimation, clustering, and visualization

21 January 2018

1 reference

Extracting Markov Models of Peptide Conformational Dynamics from Simulation Data

21 January 2018

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

Validation of Markov state models using Shannon's entropy.

21 January 2018

1 reference

Long‐Time Protein Folding Dynamics from Short‐Time Molecular Dynamics Simulations

21 January 2018

1 reference

Helix propensities of the amino acids measured in alanine-based peptides without helix-stabilizing side-chain interactions.

21 January 2018

1 reference

Hidden complexity of free energy surfaces for peptide (protein) folding

21 January 2018

1 reference

Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics

21 January 2018

1 reference

Metastability of the folded states of globular proteins

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2714539

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17 April 2018

release_r4nh7oqskjgllkzy3i32x46roe

Fatcat ID

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Fatcat

https://api.fatcat.wiki/v0/release/r4nh7oqskjgllkzy3i32x46roe

mapped directly with Wikidata item

24 November 2022

based on heuristic

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17 April 2018