(Q36758049)

16 August 2017

Kramers turnover: From energy diffusion to spatial diffusion using metadynamics (English)

1 reference

16 August 2017

Pratyush Tiwary

1

1 reference

16 August 2017

B J Berne

series ordinal

2

1 reference

16 August 2017

language of work or name

English

0 references

publication date

1 April 2016

1 reference

Journal of Chemical Physics

16 August 2017

1 reference

16 August 2017

144

1 reference

16 August 2017

13

1 reference

16 August 2017

134103

1 reference

Role of water and steric constraints in the kinetics of cavity-ligand unbinding

16 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4818276

Kinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4818276

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4818276

Transition path sampling: throwing ropes over rough mountain passes, in the dark.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4818276

From metadynamics to dynamics.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4818276

A time-independent free energy estimator for metadynamics.

28 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4818276

Accurate sampling using Langevin dynamics.

5 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4818276

Predicting slow structural transitions in macromolecular systems: Conformational flooding

5 September 2018

1 reference

Crossref

https://api.crossref.org/works/10.1063%2F1.4944577

Spectral gap optimization of order parameters for sampling complex molecular systems

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1063%2F1.4944577

Diffusive Model of Protein Folding Dynamics with Kramers Turnover in Rate

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1063%2F1.4944577

Generic mechanism of optimal energy transfer efficiency: a scaling theory of the mean first-passage time in exciton systems

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27059558

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Assessing the Reliability of the Dynamics Reconstructed from Metadynamics

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27059558

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1063/1.4944577

1 reference

16 August 2017

1 reference

0 references

1 reference

16 August 2017

PubMed publication ID

27059558

1 reference