(Q34189756)

31 July 2017

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

1 reference

31 July 2017

1 reference

Ruhong Zhou

1

1 reference

PubMed ID

12242327

31 July 2017

Bruce J Berne

series ordinal

2

1 reference

PubMed ID

12242327

31 July 2017

language of work or name

English

0 references

publication date

19 September 2002

1 reference

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

31 July 2017

1 reference

31 July 2017

99

1 reference

31 July 2017

12777-12782

1 reference

31 July 2017

20

1 reference

The free energy landscape for beta hairpin folding in explicit water

31 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

What are the dielectric "constants" of proteins and how to validate electrostatic models?

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Generalized born models of macromolecular solvation effects

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Mechanisms and kinetics of beta-hairpin formation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Dynamics and thermodynamics of beta-hairpin assembly: insights from various simulation techniques

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

A molecular dynamics study of the 41-56 beta-hairpin from B1 domain of protein G

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Global optimization of clusters, crystals, and biomolecules.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Understanding beta-hairpin formation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Molecular dynamics simulations of unfolding and refolding of a beta-hairpin fragment of protein G

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Effective energy function for proteins in solution

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

A statistical mechanical model for beta-hairpin kinetics.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Folding dynamics and mechanism of beta-hairpin formation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Knowledge-based protein secondary structure assignment

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Classical electrostatics in biology and chemistry

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

A short linear peptide that folds into a native stable beta-hairpin in aqueous solution

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Folding of protein G B1 domain studied by the conformational characterization of fragments comprising its secondary structure elements

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=130536

Semianalytical treatment of solvation for molecular mechanics and dynamics

5 July 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.142430099

Replica-exchange molecular dynamics method for protein folding

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.142430099

The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.142430099

Experimental measurement of the effective dielectric in the hydrophobic core of a protein.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.142430099

Simulations of ion current in realistic models of ion channels: the KcsA potassium channel.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.142430099

Exploring the energy landscape of a beta hairpin in explicit solvent

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/12242327

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Beta-hairpin folding simulations in atomistic detail using an implicit solvent model

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/12242327

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Large-amplitude nonlinear motions in proteins

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/12242327

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.142430099

1 reference

31 July 2017

0 references

1 reference

31 July 2017

1 reference

PubMed ID

12242327