TOUCHSTONE: an ab initio protein structure prediction method that uses threading-based tertiary restraints.

ABSTRACT: The successful prediction of protein structure from amino acid sequence requires two features: an efficient conformational search algorithm and an energy function with a global minimum in the native state. As a step toward addressing both issues, a threading-based method of secondary and tertiary restraint prediction has been developed and applied to ab initio folding. Such restraints are derived by extracting consensus contacts and local secondary structure from at least weakly scoring structures that, in some cases, can lack any global similarity to the sequence of interest. Furthermore, to generate representative protein structures, a reduced lattice-based protein model is used with replica exchange Monte Carlo to explore conformational space. We report results on the application of thi

SUBMITTER: Kihara D 

PROVIDER: S-EPMC56926 | biostudies-literature | 2001 Aug

REPOSITORIES: biostudies-literature