Predicting folding free energy changes upon single point mutations.

ABSTRACT:

Motivation

The folding free energy is an important characteristic of proteins stability and is directly related to protein's wild-type function. The changes of protein's stability due to naturally occurring mutations, missense mutations, are typically causing diseases. Single point mutations made in vitro are frequently used to assess the contribution of given amino acid to the stability of the protein. In both cases, it is desirable to predict the change of the folding free energy upon single point mutations in order to either provide insights of the molecular mechanism of the change or to design new experimental studies.

Results

We report an approach that predicts the free energy change upon single point mutation by utilizing the 3D structure of the wild-type protein. It i

SUBMITTER: Zhang Z 

PROVIDER: S-EPMC3289912 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature