Fast protein structure prediction using Monte Carlo simulations with modal moves.

Fast protein structure prediction using Monte Carlo simulations with modal moves. Research Abstract Details 

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Fast protein structure prediction using Monte Carlo simulations with modal moves. Abstract Text:

Paolo Carnevali,Gergely ,Garrick Toubassi,Siavash N Meshkat,

Using normal modes to generate torsion space moves in Monte Carlo simulations of peptides and proteins is not a new idea; nevertheless, despite its power it has not received widespread application. We show that such a "Modal Monte Carlo" approach is an efficient tool for ab initio predictions of small-protein structures. We apply this method to the Trp cage, a 20-residue polypeptide designed to fold rapidly into a structure that includes tertiary contacts, despite its short length. We achieve a high-quality ab initio structure prediction in about 2 orders of magnitude less computation time than state of the art molecular dynamics techniques.

Fast protein structure prediction using Monte Carlo simulations with modal moves. Publishing Authors By Initials

P Carnevali,G ,G Toubassi,SN Meshkat,

For similar proteins: recombinant proteins research abstracts see: proteins: recombinant proteins research

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Fast protein structure prediction using Monte Carlo simulations with modal moves. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: Journal of the American Chemical Society

VOLUME: 125

Page Numbers: 14244-5

Journal Abbreviation: J. Am. Chem. Soc.

ISSN: 0002-7863

DAY: 26

MONTH: Nov

YEAR: 2003

Fast protein structure prediction using Monte Carlo simulations with modal moves. Information

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LANGUAGE: eng

NlmUniqueID: 7503056

Fast protein structure prediction using Monte Carlo simulations with modal moves. Keywords Mesh Terms:

KEYWORDS: Recombinant Proteins

MESH TERMS: chemistry

Chemical & Substance for Abstract: Fast protein structure prediction using Monte Carlo simulations with modal moves. Information

Substance Name: TC5b protein, synthetic

Registry Number: 0

Grant and Affiliation Information for Fast protein structure prediction using Monte Carlo simulations with modal moves.

AFFILIATION: Protein Mechanics Inc., 280 Hope Street, Mountain View, CA 94041, USA. PCarnevali@ProteinMechanics.com

Country: United States

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MEDLINETA: J Am Chem Soc

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