Andrzej Kolinski Research Group

Coarse-grained protein modeling

Modeling Software & Servers

Biomolecules — dynamics & interactions

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De novo simulations of the folding of GCN4 and its mutants

Source:

Modeling of Biomolecular Structures and Mechanisms, 8:95–98, 1995

Abstract

A hierarchical approach to protein folding is employed to examine the folding pathway and predict the quaternary structure of the GCN4 leucine zipper. Structures comparable in quality to experiment have been predicted. In addition, the equilibrium between dimers, trimers and tetramers of a number of GCN4 mutants has been examined. In most of the cases, the simulation results are in accord with the experimental studies of Harbury et al.