Ontology highlight
ABSTRACT:
SUBMITTER: McAllister SR
PROVIDER: S-EPMC2847311 | biostudies-literature | 2010 Mar
REPOSITORIES: biostudies-literature
Computational optimization and applications 20100301 2
First principles approaches to the protein structure prediction problem must search through an enormous conformational space to identify low-energy, near-native structures. In this paper, we describe the formulation of the tertiary structure prediction problem as a nonlinear constrained minimization problem, where the goal is to minimize the energy of a protein conformation subject to constraints on torsion angles and interatomic distances. The core of the proposed algorithm is a hybrid global o ...[more]