(Q42424805)

31 October 2017

Ensemble-Biased Metadynamics: A Molecular Simulation Method to Sample Experimental Distributions (English)

1 reference

31 October 2017

Fabrizio Marinelli

1

1 reference

31 October 2017

José D Faraldo-Gómez

series ordinal

2

1 reference

31 October 2017

language of work or name

English

0 references

publication date

1 June 2015

1 reference

31 October 2017

1 reference

31 October 2017

108

1 reference

31 October 2017

12

1 reference

31 October 2017

2779-2782

1 reference

Efficient and Minimal Method to Bias Molecular Simulations with Experimental Data

31 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4472218

Restrained-ensemble molecular dynamics simulations based on distance histograms from double electron-electron resonance spectroscopy

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4472218

Structural refinement from restrained-ensemble simulations based on EPR/DEER data: application to T4 lysozyme

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4472218

On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4472218

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

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4472218

Escaping free-energy minima

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4472218

Structure of bacteriophage T4 lysozyme refined at 1.7 A resolution

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4472218

On the Use of Experimental Observations to Bias Simulated Ensembles

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4472218

Well-tempered metadynamics converges asymptotically.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4472218

DEER distance measurements on proteins

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4472218

Equilibrium Free Energies from Nonequilibrium Metadynamics

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4472218

Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle

1 December 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26083917

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/J.BPJ.2015.05.024

1 reference

31 October 2017

1 reference

31 October 2017

PubMed publication ID

26083917

1 reference