CASP11--An Evaluation of a Modular BCL::Fold-Based Protein Structure Prediction Pipeline.

ABSTRACT: In silico prediction of a protein's tertiary structure remains an unsolved problem. The community-wide Critical Assessment of Protein Structure Prediction (CASP) experiment provides a double-blind study to evaluate improvements in protein structure prediction algorithms. We developed a protein structure prediction pipeline employing a three-stage approach, consisting of low-resolution topology search, high-resolution refinement, and molecular dynamics simulation to predict the tertiary structure of proteins from the primary structure alone or including distance restraints either from predicted residue-residue contacts, nuclear magnetic resonance (NMR) nuclear overhauser effect (NOE) experiments, or mass spectroscopy (MS) cross-linking (XL) data. The protein structure prediction pipeline wa

SUBMITTER: Fischer AW 

PROVIDER: S-EPMC4821492 | biostudies-literature | 2016

REPOSITORIES: biostudies-literature