(Q39847711)

15 September 2017

Coupling of replica exchange simulations to a non-Boltzmann structure reservoir (English)

1 reference

15 September 2017

Adrian E Roitberg

1 reference

15 September 2017

Asim Okur

1 reference

15 September 2017

Carlos Simmerling

series ordinal

1 reference

15 September 2017

language of work or name

English

0 references

publication date

15 February 2007

1 reference

Journal of Physical Chemistry B

15 September 2017

1 reference

15 September 2017

111

1 reference

15 September 2017

1 reference

15 September 2017

2415-2418

1 reference

Modified replica exchange simulation methods for local structure refinement

15 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

The unfolded state of the villin headpiece helical subdomain: computational studies of the role of locally stabilized structure

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

The Amber biomolecular simulation programs

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

Folding cooperativity in a three-stranded beta-sheet model

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

Conformational sampling for the impatient

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

Understanding folding and design: replica-exchange simulations of "Trp-cage" miniproteins

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

The structural basis for biphasic kinetics in the folding of the WW domain from a formin-binding protein: lessons for protein design?

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

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

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

The free energy landscape for beta hairpin folding in explicit water

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

Tryptophan zippers: Stable, monomeric -hairpins

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

Resolution exchange simulation

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

Optimal allocation of replicas in parallel tempering simulations

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

All-atom generalized-ensemble simulations of small proteins.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

Replica-exchange method using the generalized effective potential

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

Replica Monte Carlo simulation of spin glasses.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4819981

Improving Convergence of Replica-Exchange Simulations through Coupling to a High-Temperature Structure Reservoir

20 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17300191

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Improved Efficiency of Replica Exchange Simulations through Use of a Hybrid Explicit/Implicit Solvation Model

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17300191

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Exploring the energy landscape of a beta hairpin in explicit solvent

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17300191

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JP068335B

1 reference

15 September 2017

1 reference

15 September 2017

PubMed publication ID

17300191

1 reference