(Q37428386)

20 August 2017

Error and efficiency of replica exchange molecular dynamics simulations (English)

1 reference

20 August 2017

Edina Rosta

1

0 references

Gerhard Hummer

object named as

Gerhard Hummer

series ordinal

2

0 references

language of work or name

English

0 references

publication date

1 October 2009

1 reference

Journal of Chemical Physics

20 August 2017

1 reference

20 August 2017

131

1 reference

20 August 2017

16

1 reference

20 August 2017

165102

1 reference

Thermostat artifacts in replica exchange molecular dynamics simulations

20 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Simple continuous and discrete models for simulating replica exchange simulations of protein folding.

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Simulating replica exchange simulations of protein folding with a kinetic network model

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

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

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Diffusion and electrophoretic mobility of single-stranded RNA from molecular dynamics simulations.

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Alpha-helical stabilization by side chain shielding of backbone hydrogen bonds

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Comparison of sampling efficiency between simulated tempering and replica exchange

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Optimized explicit-solvent replica exchange molecular dynamics from scratch.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Peptide folding kinetics from replica exchange molecular dynamics.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Coarse master equations for peptide folding dynamics.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Optimization of replica exchange molecular dynamics by fast mimicking

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Generalized ensemble and tempering simulations: a unified view.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Optimized parallel tempering simulations of proteins.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Rate-temperature relationships in lambda-repressor fragment lambda 6-85 folding

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Replica Monte Carlo simulation of spin glasses.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2780465

Replica-exchange molecular dynamics method for protein folding

2 September 2018

1 reference

Crossref

https://api.crossref.org/works/10.1063%2F1.3249608

Exchange frequency in replica exchange molecular dynamics

21 January 2018

1 reference

12 December 2020

Dynamics and optimal number of replicas in parallel tempering simulations

1 reference

12 December 2020

How Efficient Is Replica Exchange Molecular Dynamics? An Analytic Approach

1 reference

12 December 2020

Ensuring Mixing Efficiency of Replica-Exchange Molecular Dynamics Simulations

1 reference

12 December 2020

Identifiers

DOI

10.1063/1.3249608

1 reference

20 August 2017

1 reference

PMC publication ID

2780465

20 August 2017

PubMed publication ID

19894977

1 reference

PMC publication ID

2780465