(Q41896859)

13 October 2017

Rapid exploration of configuration space with diffusion-map-directed molecular dynamics (English)

1 reference

13 October 2017

3

Cecilia Clementi

1 reference

13 October 2017

Wenwei Zheng

1

1 reference

13 October 2017

Mary A Rohrdanz

series ordinal

2

1 reference

13 October 2017

language of work or name

English

0 references

publication date

7 August 2013

1 reference

Journal of Physical Chemistry B

13 October 2017

1 reference

13 October 2017

117

1 reference

13 October 2017

42

1 reference

13 October 2017

12769-12776

1 reference

Discovering mountain passes via torchlight: methods for the definition of reaction coordinates and pathways in complex macromolecular reactions

13 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

Systematic determination of order parameters for chain dynamics using diffusion maps.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

Milestoning without a Reaction Coordinate

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

Everything you wanted to know about Markov State Models but were afraid to ask

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

Detecting intrinsic slow variables in stochastic dynamical systems by anisotropic diffusion maps

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

GROMACS: fast, flexible, and free

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

Blue moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

Escaping free-energy minima

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

Polymer reversal rate calculated via locally scaled diffusion map.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

Integrating diffusion maps with umbrella sampling: application to alanine dipeptide.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

Determination of reaction coordinates via locally scaled diffusion map.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

Simulating rare events in equilibrium or nonequilibrium stochastic systems.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3808479

Delineation of folding pathways of a β-sheet miniprotein

18 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23865517

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Free Energy Guided Sampling

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23865517

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JP401911H

1 reference

13 October 2017

1 reference

13 October 2017

PubMed publication ID

23865517

1 reference