Now showing items 1-3 of 3
Monte Carlo studies of the thermodynamics and kinetics of reduced protein models: Application to small helical, β, and α / β proteins
(Georgia Institute of Technology, 1998-02-08)
Employing a high coordination lattice model and conformational sampling based on dynamic and entropy sampling Monte Carlo protocols, computer experiments were performed on three small globular proteins, each representing ...
Optimization of protein structure on lattices using a self-consistent field approach
(Georgia Institute of Technology, 1998)
Lattice modeling of proteins is commonly used to study the protein folding problem. The reduced number of possible conformations of lattice models enormously facilitates exploration of the conformational space. In this ...
Computer simulations of de novo designed helical proteins
(Georgia Institute of Technology, 1998-07)
In the context of reduced protein models, Monte Carlo simulations of three de novo designed helical proteins (four-member helical bundle) were performed. At low temperatures, for all proteins under consideration, protein-like ...