A coarse-grained potential for fold recognition and molecular dynamics simulations of proteins

A coarse‐grained potential for protein simulations and fold ranking is presented. The potential is based on a two‐point model of individual amino acids and a specific implementation of hydrogen bonding. Parameters are determined for distance dependent pair interactions, pseudo bonds, angles, and tor...

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Veröffentlicht in:	Proteins, structure, function, and bioinformatics structure, function, and bioinformatics, 2009-09, Vol.76 (4), p.822-836
Hauptverfasser:	Májek, Peter, Elber, Ron
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Artificial Intelligence Computer Simulation empirical force field fold recognition generalized ensembles Models, Molecular Protein Conformation Protein Folding protein simulation Proteins - chemistry reduced energy statistical potential
Online-Zugang:	Volltext
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