Recovery of Protein Structure from Contact Maps

Дата и время публикации : 1997-05-21T13:18:54Z

Авторы публикации и институты :
Michele Vendruscolo
Edo Kussell
Eytan Domany

Ссылка на журнал-издание: Ссылка на журнал-издание не найдена
Коментарии к cтатье: 27 pages, RevTex, 12 figures included
Первичная категория: cond-mat.soft

Все категории : cond-mat.soft, q-bio

Краткий обзор статьи: We present an efficient algorithm to recover the three dimensional structure of a protein from its contact map representation. First we show that when a physically realizable map is used as target, our method generates a structure whose contact map is essentially similar to the target. Furthermore, the reconstructed and original structures are similar up to the resolution of the contact map representation. Next we use non-physical target maps, obtained by corrupting a physical one; in this case our method essentially recovers the underlying physical map and structure. Hence our algorithm will help to fold proteins, using dynamics in the space of contact maps. Finally we investigate the manner in which the quality of the recovered structure degrades when the number of contacts is reduced.

Category: Physics