Simulations of the role of water in the protein-folding mechanism (Q33694936)

28 July 2017

Simulations of the role of water in the protein-folding mechanism (English)

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28 July 2017

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Young Min Rhee

1

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Erik Lindahl

object named as

Erik Lindahl

series ordinal

4

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Vijay Pande

series ordinal

5

object named as

Vijay S Pande

1 reference

28 July 2017

2

Eric J Sorin

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28 July 2017

3

Guha Jayachandran

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PubMed ID

15090647

28 July 2017

language of work or name

English

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publication date

16 April 2004

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

28 July 2017

6

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based on heuristic

inferred from page(s)

published in

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28 July 2017

101

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17

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28 July 2017

6456-6461

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COMPUTING: Screen Savers of the World Unite!

28 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Simulation of the folding equilibrium of α-helical peptides: A comparison of the generalized Born approximation with explicit solvent

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Absolute comparison of simulated and experimental protein-folding dynamics

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Drying-induced hydrophobic polymer collapse

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Long time dynamics of Met-enkephalin: comparison of explicit and implicit solvent models

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Alpha-helical stabilization by side chain shielding of backbone hydrogen bonds

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Protein folding mediated by solvation: water expulsion and formation of the hydrophobic core occur after the structural collapse

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Design and NMR analyses of compact, independently folded BBA motifs

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Design of a monomeric 23-residue polypeptide with defined tertiary structure

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Protein folding dynamics: the diffusion-collision model and experimental data

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Water-protein interactions: theory and experiment

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=404066

Comparison of simple potential functions for simulating liquid water

21 June 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0307898101

On the transition coordinate for protein folding

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0307898101

GROMACS 3.0: a package for molecular simulation and trajectory analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0307898101

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0307898101

The influence of boundary conditions used in machine simulations on the structure of polar systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0307898101

Will a twist of viral fate lead to a new cancer treatment?

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0307898101

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0307898101

Calculations on folding of segment B1 of streptococcal protein G

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0307898101

21 January 2018

Identifiers

DOI

10.1073/PNAS.0307898101

1 reference

28 July 2017

0 references

1 reference

28 July 2017

1 reference

PubMed ID

15090647