(Q31154801)

29 June 2017

title

Reversible folding simulation by hybrid Hamiltonian replica exchange (English)

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29 June 2017

Weixin Xu

1

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29 June 2017

Tingfeng Lai

series ordinal

2

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29 June 2017

Ye Yang

series ordinal

3

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29 June 2017

Yuguang Mu

series ordinal

4

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29 June 2017

language of work or name

English

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publication date

1 May 2008

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Journal of Chemical Physics

29 June 2017

published in

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29 June 2017

volume

128

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29 June 2017

issue

17

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29 June 2017

page(s)

175105

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Molecular dynamics simulations of biomolecules

29 June 2017

cites work

1 reference

Molecular dynamics simulation of nucleic acids

21 January 2018

1 reference

Biomolecular modeling: Goals, problems, perspectives

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1 reference

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A Second Look at Canonical Sampling of Biomolecules using Replica Exchange Simulation

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Replica exchange with solute tempering: a method for sampling biological systems in explicit water

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Overcoming entropic barrier with coupled sampling at dual resolutions

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Modified replica exchange simulation methods for local structure refinement

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Resolution exchange simulation.

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10 residue folded peptide designed by segment statistics.

21 January 2018

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Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: applications to the molecular systems and geometric objects

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Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

21 January 2018

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GROMACS: fast, flexible, and free

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Structure of Met-enkephalin in explicit aqueous solution using replica exchange molecular dynamics

21 January 2018

1 reference

Folding mechanism of beta-hairpins studied by replica exchange molecular simulations

21 January 2018

1 reference

Understanding beta-hairpin formation

21 January 2018

1 reference

The free energy landscape for beta hairpin folding in explicit water

21 January 2018

1 reference

Can a continuum solvent model reproduce the free energy landscape of a beta -hairpin folding in water?

21 January 2018

1 reference

Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy.

21 January 2018

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Nature of structural inhomogeneities on folding a helix and their influence on spectral measurements

21 January 2018

1 reference

Simulations of the pressure and temperature unfolding of an alpha-helical peptide.

21 January 2018

1 reference

A statistical mechanical model for beta-hairpin kinetics.

21 January 2018

1 reference

Folding dynamics and mechanism of beta-hairpin formation

21 January 2018

1 reference

beta-hairpin stability and folding: molecular dynamics studies of the first beta-hairpin of tendamistat

21 January 2018

1 reference

Molecular dynamics simulations of unfolding and refolding of a beta-hairpin fragment of protein G

21 January 2018

1 reference

From Levinthal to pathways to funnels

21 January 2018

1 reference

Theory of protein folding: the energy landscape perspective

21 January 2018

1 reference

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

21 January 2018

1 reference

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

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

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

21 January 2018

1 reference

Peptide loop-closure kinetics from microsecond molecular dynamics simulations in explicit solvent

21 January 2018

1 reference

Experimental tests of villin subdomain folding simulations

21 January 2018

1 reference

Molecular dynamics simulations of the protein unfolding/folding reaction

21 January 2018

1 reference

Free energy landscape and folding mechanism of a β-hairpin in explicit water: A replica exchange molecular dynamics study

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2911693

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29 June 2017

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