Ontology highlight
ABSTRACT:
SUBMITTER: Subramani A
PROVIDER: S-EPMC3462460 | biostudies-literature | 2012 May
REPOSITORIES: biostudies-literature
Subramani A A Wei Y Y Floudas C A CA
AIChE journal. American Institute of Chemical Engineers 20110531 5
The three-dimensional (3-D) structure prediction of proteins, given their amino acid sequence, is addressed using the first principles-based approach ASTRO-FOLD 2.0. The key features presented are: (1) Secondary structure prediction using a novel optimization-based consensus approach, (2) β-sheet topology prediction using mixed-integer linear optimization (MILP), (3) Residue-to-residue contact prediction using a high-resolution distance-dependent force field and MILP formulation, (4) Tight dihed ...[more]