Enhancing fragment-based protein structure prediction by customising fragment cardinality according to local secondary structure.

ABSTRACT:

Background

Whenever suitable template structures are not available, usage of fragment-based protein structure prediction becomes the only practical alternative as pure ab initio techniques require massive computational resources even for very small proteins. However, inaccuracy of their energy functions and their stochastic nature imposes generation of a large number of decoys to explore adequately the solution space, limiting their usage to small proteins. Taking advantage of the uneven complexity of the sequence-structure relationship of short fragments, we adjusted the fragment insertion process by customising the number of available fragment templates according to the expected complexity of the predicted local secondary structure. Whereas the number of fragments is kept to its

SUBMITTER: Abbass J 

PROVIDER: S-EPMC7195757 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature