(Q37237147)

19 August 2017

Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics (English)

1 reference

19 August 2017

3

J Andrew McCammon

1 reference

19 August 2017

Mikolai Fajer

1

1 reference

PMC publication ID

2700186

19 August 2017

Robert V Swift

series ordinal

2

1 reference

PMC publication ID

2700186

19 August 2017

language of work or name

1 reference

1 August 2009

1 reference

Journal of Computational Chemistry

19 August 2017

1 reference

19 August 2017

30

1 reference

19 August 2017

11

1 reference

19 August 2017

1719-1725

1 reference

Replica-Exchange Accelerated Molecular Dynamics (REXAMD) Applied to Thermodynamic Integration

19 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2700186

Statistically optimal analysis of samples from multiple equilibrium states

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2700186

Molecular dynamics of a kappaB DNA element: base flipping via cross-strand intercalative stacking in a microsecond-scale simulation

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2700186

Ten-microsecond molecular dynamics simulation of a fast-folding WW domain

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2700186

Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteins

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2700186

Characterization of conformational equilibria through Hamiltonian and temperature replica-exchange simulations: assessing entropic and environmental effects.

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2700186

Optimal estimates of free energies from multistate nonequilibrium work data.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2700186

Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2700186

Systematic and statistical error in histogram-based free energy calculations

3 September 2018

1 reference

12 December 2020

Exploring multiple timescale motions in protein GB3 using accelerated molecular dynamics and NMR spectroscopy

1 reference

12 December 2020

A statistical analysis of the precision of reweighting-based simulations

1 reference

12 December 2020

A Hamiltonian Replica Exchange Approach and Its Application to the Study of Side-Chain Type and Neighbor Effects on Peptide Backbone Conformations

1 reference

12 December 2020

Ensuring Mixing Efficiency of Replica-Exchange Molecular Dynamics Simulations

1 reference

12 December 2020

Identifiers

DOI

10.1002/JCC.21285

1 reference

19 August 2017

journals/jcc/FajerSM09

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

19 August 2017

1 reference

PMC publication ID

2700186