Advances in Rosetta structure prediction for difficult molecular-replacement problems.

ABSTRACT: Recent work has shown the effectiveness of structure-prediction methods in solving difficult molecular-replacement problems. The Rosetta protein structure modeling suite can aid in the solution of difficult molecular-replacement problems using templates from 15 to 25% sequence identity; Rosetta refinement guided by noisy density has consistently led to solved structures where other methods fail. In this paper, an overview of the use of Rosetta for these difficult molecular-replacement problems is provided and new modeling developments that further improve model quality are described. Several variations to the method are introduced that significantly reduce the time needed to generate a model and the sampling required to improve the starting template. The improvements are benchmarked on a s

SUBMITTER: DiMaio F 

PROVIDER: S-EPMC3817693 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature