Protein structure prediction: making AWSEM AWSEM-ER by adding evolutionary restraints.

ABSTRACT: Protein sequences have evolved to fold into functional structures, resulting in families of diverse protein sequences that all share the same overall fold. One can harness protein family sequence data to infer likely contacts between pairs of residues. In the current study, we combine this kind of inference from coevolutionary information with a coarse-grained protein force field ordinarily used with single sequence input, the Associative memory, Water mediated, Structure and Energy Model (AWSEM), to achieve improved structure prediction. The resulting Associative memory, Water mediated, Structure and Energy Model with Evolutionary Restraints (AWSEM-ER) yields a significant improvement in the quality of protein structure prediction over the single sequence prediction from AWSEM when a suff

SUBMITTER: Sirovetz BJ 

PROVIDER: S-EPMC5807005 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature