(Q34200169)

31 July 2017

A self-learning algorithm for biased molecular dynamics (English)

1 reference

31 July 2017

1 reference

Michele Ceriotti

2

0 references

Michele Parrinello

series ordinal

3

object named as

Michele Parrinello

1 reference

31 July 2017

Gareth A Tribello

1

1 reference

PubMed ID

20876135

31 July 2017

language of work or name

English

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publication date

27 September 2010

1 reference

Proceedings of the National Academy of Sciences of the United States of America

31 July 2017

1 reference

31 July 2017

107

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31 July 2017

41

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31 July 2017

17509-17514

1 reference

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

31 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

Large-scale conformational sampling of proteins using temperature-accelerated molecular dynamics

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

Gaussian-mixture umbrella sampling

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

A bias-exchange approach to protein folding

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

Canonical sampling through velocity rescaling

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

Replica exchange with solute tempering: a method for sampling biological systems in explicit water

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

Escaping free-energy minima

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

Essential dynamics of proteins

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

Local elevation: a method for improving the searching properties of molecular dynamics simulation.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2955137

Replica-exchange molecular dynamics method for protein folding

5 July 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1011511107

Computing time scales from reaction coordinates by milestoning.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1011511107

String method in collective variables: minimum free energy paths and isocommittor surfaces.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1011511107

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1011511107

Predicting slow structural transitions in macromolecular systems: Conformational flooding

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1011511107

From A to B in free energy space.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1011511107

Computing the viscosity of supercooled liquids.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1011511107

Probabilistic Principal Component Analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1011511107

Mixtures of Probabilistic Principal Component Analyzers

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1011511107

Estimating the Dimension of a Model

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1011511107

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1011511107

Efficient and direct generation of multidimensional free energy surfaces via adiabatic dynamics without coordinate transformations

21 January 2018

1 reference

12 December 2020

Advillin folding takes place on a hypersurface of small dimensionality

1 reference

12 December 2020

New Monte Carlo technique for studying phase transitions

1 reference

12 December 2020

Action-derived molecular dynamics in the study of rare events

1 reference

12 December 2020

Calculation of the relative change in binding free energy of a protein-inhibitor complex

1 reference

12 December 2020

Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations

1 reference

12 December 2020

Sampling Rare Switching Events in Biochemical Networks

1 reference

12 December 2020

Using novel variable transformations to enhance conformational sampling in molecular dynamics

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.1011511107

1 reference

31 July 2017

0 references

1 reference

1 reference

31 July 2017

1 reference

PubMed ID

20876135