Testing a new Monte Carlo Algorithm for Protein Folding

Дата и время публикации : 1997-10-02T17:28:48Z

Авторы публикации и институты :
Ugo Bastolla (HLRZ c/o Forschungszentrum Jülich, Germany;)
Helge Frauenkron (HLRZ c/o Forschungszentrum Jülich, Germany;)
Erwin Gerstner (HLRZ c/o Forschungszentrum Jülich, Germany;, Physics Department, University of Wuppertal,Germany)
Peter Grassberger (HLRZ c/o Forschungszentrum Jülich, Germany;, Physics Department, University of Wuppertal,Germany)
Walter Nadler (HLRZ c/o Forschungszentrum Jülich, Germany;)

Ссылка на журнал-издание: Proteins: Structure, Function, and Genetics Vol. 32 (1998) 52–66
Коментарии к cтатье: 13 pages, RevTeX, needs epsfig.sty and multicolum.sty
Первичная категория: cond-mat.stat-mech

Все категории : cond-mat.stat-mech, q-bio

Краткий обзор статьи: We demonstrate that the recently proposed pruned-enriched Rosenbluth method PERM (P. Grassberger, Phys. Rev. E, in press (1997)) leads to extremely efficient algorithms for the folding of simple model proteins. We test it on several models for lattice heteropolymers, and compare to published Monte Carlo studies of the properties of particular sequences. In all cases our method is faster than the previous ones, and in several cases we find new minimal energy states. In addition to producing more reliable candidates for ground states, our method gives detailed information about the thermal spectrum and, thus, allows to analyze static aspects of the folding behavior of arbitrary sequences.

Category: Physics