(Q36914992)

17 August 2017

On the application of accelerated molecular dynamics to liquid water simulations (English)

1 reference

17 August 2017

3

J Andrew McCammon

1 reference

17 August 2017

César Augusto F de Oliveira

series ordinal

1

1 reference

17 August 2017

Donald Hamelberg

series ordinal

2

1 reference

17 August 2017

language of work or name

English

0 references

publication date

1 November 2006

1 reference

Journal of Physical Chemistry B

17 August 2017

1 reference

17 August 2017

110

1 reference

17 August 2017

45

1 reference

17 August 2017

22695-22701

1 reference

17 August 2017

Implicit solvent models

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2556231

Can a continuum solvent model reproduce the free energy landscape of a beta -hairpin folding in water?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2556231

Generalized born models of macromolecular solvation effects

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2556231

Role of hydration and water structure in biological and colloidal interactions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2556231

Phosphorylation effects on cis/trans isomerization and the backbone conformation of serine-proline motifs: accelerated molecular dynamics analysis

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2556231

A modified TIP3P water potential for simulation with Ewald summation

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2556231

Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2556231

Standard free energy of releasing a localized water molecule from the binding pockets of proteins: double-decoupling method.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2556231

Entropy calculations on a reversibly folding peptide: changes in solute free energy cannot explain folding behavior.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2556231

Structure and dynamics of liquid water with different long-range interaction truncation and temperature control methods in molecular dynamics simulations

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2556231

Site-directed mutagenesis probing the catalytic role of arginines 165 and 166 of human cytomegalovirus protease

4 December 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17092018

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A targeted reweighting method for accelerating the exploration of high-dimensional configuration space

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17092018

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JP062845O

1 reference

release_yh5i4pewk5hjxnw5fmhmt6lspm

17 August 2017

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/yh5i4pewk5hjxnw5fmhmt6lspm

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference

17 August 2017

PubMed publication ID

17092018

1 reference