Understanding folding and design: replica-exchange simulations of "Trp-cage" miniproteins (Q35146195)

6 August 2017

title

Understanding folding and design: replica-exchange simulations of "Trp-cage" miniproteins (English)

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6 August 2017

Jed W Pitera

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6 August 2017

William Swope

series ordinal

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6 August 2017

language of work or name

English

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publication date

13 June 2003

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

6 August 2017

published in

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6 August 2017

volume

100

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6 August 2017

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6 August 2017

page(s)

7587-7592

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

6 August 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=164630

The Trp cage: folding kinetics and unfolded state topology via molecular dynamics simulations

13 July 2018

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Absolute comparison of simulated and experimental protein-folding dynamics

13 July 2018

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Smaller and faster: the 20-residue Trp-cage protein folds in 4 micros

13 July 2018

1 reference

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Native-like mean structure in the unfolded ensemble of small proteins

13 July 2018

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

13 July 2018

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All-Atom Structure Prediction and Folding Simulations of a Stable Protein

13 July 2018

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Direct observation of the folding and unfolding of a beta-hairpin in explicit water through computer simulation.

13 July 2018

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Designing a 20-residue protein

13 July 2018

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13 July 2018

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Exendin-4 and glucagon-like-peptide-1: NMR structural comparisons in the solution and micelle-associated states

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13 July 2018

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13 July 2018

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13 July 2018

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13 July 2018

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13 July 2018

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13 July 2018

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The beta-peptide hairpin in solution: conformational study of a beta-hexapeptide in methanol by NMR spectroscopy and MD simulation

27 September 2018

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Reversible peptide folding in solution by molecular dynamics simulation

27 September 2018

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

27 September 2018

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

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Blue Gene: A vision for protein science using a petaflop supercomputer

21 January 2018

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Molecular dynamics with coupling to an external bath

21 January 2018

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Molecular dynamics study of peptides in implicit water: ab initio folding of beta-hairpin, beta-sheet, and beta beta alpha-motif

21 January 2018

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12 December 2020

Theory and applications of the generalized Born solvation model in macromolecular simulations

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12 December 2020

Exploring the energy landscape of a beta hairpin in explicit solvent

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12 December 2020

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

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12 December 2020

Identifiers

DOI

10.1073/PNAS.1330954100

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6 August 2017

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6 August 2017

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