Ontology highlight
ABSTRACT:
SUBMITTER: Jiang X
PROVIDER: S-EPMC2144549 | biostudies-other | 2000 Feb
REPOSITORIES: biostudies-other
Jiang X X Farid H H Pistor E E Farid R S RS
Protein science : a publication of the Protein Society 20000201 2
A new computer program (CORE) is described that predicts core hydrophobic sequences of predetermined target protein structures. A novel scoring function is employed, which for the first time incorporates parameters directly correlated to free energies of unfolding (deltaGu), melting temperatures (Tm), and cooperativity. Metropolis-driven simulated annealing and low-temperature Monte Carlo sampling are used to optimize this score, generating sequences predicted to yield uniquely folded, stable pr ...[more]