(Q39825374)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24490961%20AND%20SRC:MED&resulttype=core&format=json

7 March 2020

title

WExplore: hierarchical exploration of high-dimensional spaces using the weighted ensemble algorithm (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24490961%20AND%20SRC:MED&resulttype=core&format=json

7 March 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24490961%20AND%20SRC:MED&resulttype=core&format=json

7 March 2020

author name string

Charles L Brooks

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24490961%20AND%20SRC:MED&resulttype=core&format=json

7 March 2020

language of work or name

English

0 references

publication date

11 February 2014

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24490961%20AND%20SRC:MED&resulttype=core&format=json

Journal of Physical Chemistry B

7 March 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24490961%20AND%20SRC:MED&resulttype=core&format=json

7 March 2020

volume

118

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24490961%20AND%20SRC:MED&resulttype=core&format=json

7 March 2020

issue

13

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24490961%20AND%20SRC:MED&resulttype=core&format=json

7 March 2020

page(s)

3532-3542

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24490961%20AND%20SRC:MED&resulttype=core&format=json

Coiled-coil response to mechanical force: global stability and local cracking

7 March 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Native states of fast-folding proteins are kinetic traps.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Simulating rare events using a weighted ensemble-based string method

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular 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=4404516

Simulations of the alternating access mechanism of the sodium symporter Mhp1.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

The "weighted ensemble" path sampling method is statistically exact for a broad class of stochastic processes and binning procedures.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

CHARMM: the biomolecular simulation program

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Efficient and verified simulation of a path ensemble for conformational change in a united-residue model of calmodulin.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Scoring function for automated assessment of protein structure template quality

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

10 residue folded peptide designed by segment statistics.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Escaping free-energy minima

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Understanding beta-hairpin formation

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Folding dynamics and mechanism of beta-hairpin formation

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Weighted-ensemble Brownian dynamics simulations for protein association reactions

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Quantifying hub-like behavior in protein folding networks.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Steady-state simulations using weighted ensemble path sampling

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Milestoning without a Reaction Coordinate

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

An adaptive weighted ensemble procedure for efficient computation of free energies and first passage rates

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Revisiting the finite temperature string method for the calculation of reaction tubes and free energies.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Markovian milestoning with Voronoi tessellations

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Nonequilibrium umbrella sampling in spaces of many order parameters.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Umbrella sampling for nonequilibrium processes.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Finite temperature string method for the study of rare events.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Reproducible polypeptide folding and structure prediction using molecular dynamics 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=4404516

Computing time scales from reaction coordinates by milestoning.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4404516

Efficient Explicit-Solvent Molecular Dynamics Simulations of Molecular Association Kinetics: Methane/Methane, Na(+)/Cl(-), Methane/Benzene, and K(+)/18-Crown-6 Ether

20 August 2018

1 reference

12 December 2020

Separating forward and backward pathways in nonequilibrium umbrella sampling.

1 reference

12 December 2020

Folding Dynamics of 10-Residue β-Hairpin Peptide Chignolin

1 reference

12 December 2020

Turn-directed folding dynamics of β-hairpin-forming de novo decapeptide Chignolin

1 reference

12 December 2020

3D maps of RNA interhelical junctions

1 reference

12 December 2020

Folding free-energy landscape of a 10-residue mini-protein, chignolin

1 reference

12 December 2020

Sampling Rare Switching Events in Biochemical Networks

1 reference

12 December 2020

Exploring the folding free energy landscape of a β-hairpin miniprotein, chignolin, using multiscale free energy landscape calculation method

1 reference

12 December 2020

Identifiers

DOI

10.1021/JP411479C

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24490961%20AND%20SRC:MED&resulttype=core&format=json

7 March 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24490961%20AND%20SRC:MED&resulttype=core&format=json

7 March 2020

PubMed publication ID

24490961

1 reference