The temperature intervals with global exchange of replicas empirical accelerated sampling method: parameter sensitivity and extension to a complex molecular system (Q34718562)

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English	The temperature intervals with global exchange of replicas empirical accelerated sampling method: parameter sensitivity and extension to a complex molecular system	scientific article

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PubMed publication ID

20949510

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4 August 2017

title

The temperature intervals with global exchange of replicas empirical accelerated sampling method: parameter sensitivity and extension to a complex molecular system (English)

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Europe PubMed Central

PubMed publication ID

20949510

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4 August 2017

author name string

Xianfeng Li

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1

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Europe PubMed Central

PubMed publication ID

20949510

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4 August 2017

Robert A Latour

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2

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Europe PubMed Central

PubMed publication ID

20949510

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4 August 2017

publication date

14 October 2010

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Europe PubMed Central

PubMed publication ID

20949510

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4 August 2017

published in

Journal of Computational Chemistry

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Europe PubMed Central

PubMed publication ID

20949510

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4 August 2017

volume

32

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Europe PubMed Central

PubMed publication ID

20949510

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4 August 2017

issue

6

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Europe PubMed Central

PubMed publication ID

20949510

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4 August 2017

page(s)

1091-1100

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PubMed publication ID

20949510

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4 August 2017

cites work

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TIGER2: an improved algorithm for temperature intervals with global exchange of replicas

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Hydrophobic aided replica exchange: an efficient algorithm for protein folding in explicit solvent

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

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Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: calculation of structural and dynamic properties

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7 July 2018

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

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Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

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The free energy landscape for beta hairpin folding in explicit water

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

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Two crystal structures of the B1 immunoglobulin-binding domain of streptococcal protein G and comparison with NMR

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A novel, highly stable fold of the immunoglobulin binding domain of streptococcal protein G

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Folding landscapes of the Alzheimer amyloid-beta(12-28) peptide.

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Molecular dynamics simulations of a beta-hairpin fragment of protein G: balance between side-chain and backbone forces

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A critical analysis of continuum electrostatics: the screened Coulomb potential--implicit solvent model and the study of the alanine dipeptide and discrimination of misfolded structures of proteins

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Exploring the energy landscape of a beta hairpin in explicit solvent

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12 December 2020

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An improved replica-exchange sampling method: temperature intervals with global energy reassignment

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20949510

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12 December 2020

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Identifiers

DOI

10.1002/JCC.21689

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Europe PubMed Central

PubMed publication ID

20949510

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4 August 2017

DBLP publication ID

journals/jcc/LiL11

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DBLP Dataset 2021-01-02

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28 January 2021

PMC publication ID

3064076

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Europe PubMed Central

PubMed publication ID

20949510

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4 August 2017

PubMed publication ID

20949510

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Europe PubMed Central

PubMed publication ID

20949510

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4 August 2017

ResearchGate publication ID

47430949

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