(Q37285423)

19 August 2017

Enhanced sampling in generalized ensemble with large gap of sampling parameter: case study in temperature space random walk (English)

1 reference

19 August 2017

Cheng Zhang

1

1 reference

19 August 2017

Jianpeng Ma

series ordinal

2

1 reference

19 August 2017

language of work or name

English

0 references

publication date

1 May 2009

1 reference

Journal of Chemical Physics

19 August 2017

1 reference

19 August 2017

130

1 reference

19 August 2017

19

1 reference

19 August 2017

194112

1 reference

Random walk in orthogonal space to achieve efficient free-energy simulation of complex systems

19 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Escaping free-energy minima

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Determining the density of states for classical statistical models: A random walk algorithm to produce a flat histogram

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Counting solutions for the N -queens and Latin-square problems by Monte Carlo simulations

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Simulation via direct computation of partition functions

26 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Comparison of sampling efficiency between simulated tempering and replica exchange

26 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Re-examination of structure optimization of off-lattice protein AB models by conformational space annealing.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Structure optimization and folding mechanisms of off-lattice protein models using statistical temperature molecular dynamics simulation: Statistical temperature annealing.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Fast algorithm to calculate density of states.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Simulated scaling method for localized enhanced sampling and simultaneous "alchemical" free energy simulations: a general method for molecular mechanical, quantum mechanical, and quantum mechanical/molecular mechanical simulations.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Statistical-temperature Monte Carlo and molecular dynamics algorithms.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Structure optimization by conformational space annealing in an off-lattice protein model.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Replica Monte Carlo simulation of spin glasses.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Toy model for protein folding.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2719474

Adaptive integration method for Monte Carlo simulations

3 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19466826

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Free energy calculations by computer simulation

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19466826

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A hybrid recursion method to robustly ensure convergence efficiencies in the simulated scaling based free energy simulations

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19466826

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1063/1.3139192

1 reference

19 August 2017

0 references

1 reference

19 August 2017

PubMed publication ID

19466826

1 reference