Funnel sculpting for in silico assembly of secondary structure elements of proteins.

Abstract:

:We present a method for designing a funnel-shaped free-energy surface that reproducibly assembles secondary structure elements of proteins into their native conformations from a random extended configuration. Assuming a priori knowledge of secondary structure, our method can design a funnel-shaped surface for folding of alpha, beta, and alphabeta structures individually. We design energy surfaces that fold up to five unrelated sequences with the same energy parameters. We develop a measure of the foldability of an energy landscape in silico and present an alternative way to view energy landscapes.

authors

Fain B,Levitt M

doi

10.1073/pnas.1732312100

keywords:

subject

Has Abstract

pub_date

2003-09-16 00:00:00

pages

10700-5

issue

19

eissn

0027-8424

issn

1091-6490

pii

1732312100

journal_volume

100

pub_type

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