Research Summary: A Coarse-Grained Approach to Protein Design: Learning from Design to Understand Folding

ABSTRACT

Computational studies have given a great contribution in building our current understanding of the complex behavior of protein molecules; nevertheless, a complete characterization of their free energy landscape still represents a major challenge. Here, we introduce a new coarse-grained approach that allows for an extensive sampling of the conformational space of a large number of sequences. We explicitly discuss its application in protein design, and by studying four representative proteins, we show that the method generates sequences with a relatively smooth free energy surface directed towards the target structures.

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Publisher: Public Library of Science

Date Published: 1-July-2011

Author(s): Coluzza I.

Link: https://doi.org/10.1371/journal.pone.0020853

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