title: Folding and form: insights from lattice simulations.
abstract: Monte Carlo simulations of a Miyazawa-Jernigan lattice-polymer model indicate that, depending on the native structure's geometry, the model exhibits two broad classes of folding mechanisms for two-state folders. Folding to native structures of low contact order is driven by backbone distance and is characterized by a progressive accumulation of structure towards the native fold. By contrast, folding to high contact order targets is dominated by intermediate stage contacts not present in the native fold, yielding a more cooperative folding process.
authors.affiliation: CFTC, Avenida Prof. Gama Pinto 2, 1649-003 Lisboa Codex, Portugal. patnev@alfl.cii.fc.ul.pt
authors.forename: P F N
authors.initials: PF
authors.lastname: Faisca
authors.forename: M M
authors.initials: MM
authors.lastname: Telo Da Gama
authors.forename: R C
authors.initials: RC
authors.lastname: Ball
mesh_terms: D000465:Algorithms; D003198:Computer Simulation; D007700:Kinetics; D015233:Models, Statistical; D009010:Monte Carlo Method; D011487:Protein Conformation; D017510:Protein Folding; D013816:Thermodynamics; D013997:Time Factors