Now showing items 1-6 of 6
Computer simulation of the folding of coiled coils
(Georgia Institute of Technology, 1994-02-01)
A simple model capable of providing possible folding pathways of two stranded, coiled coil peptides is described and simulated using an off-lattice dynamic Monte Carlo algorithm. Short sequences of very regular repetitive ...
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 ...
Static and dynamic properties of a new lattice model of polypeptide chains
(Georgia Institute of Technology, 1991-03-01)
The equilibrium and dynamic properties of a new lattice model of proteins are explored in the athermal limit. In this model, consecutive -carbons of the model polypeptide are connected by vectors of the type (±2,±1,0). In ...
Determinants of secondary structure of polypeptide chains: Interplay between short range and burial interactions
(Georgia Institute of Technology, 1997-07-15)
The effect of tertiary interactions on the observed secondary structure found in the native conformation of globular proteins was examined in the context of a reduced protein model. Short-range interactions are controlled ...
Discretized model of proteins. I. Monte Carlo study of cooperativity in homopolypeptides
(Georgia Institute of Technology, 1992-12-15)
A discretized model of globular proteins is employed in a Monte Carlo study of the helix-coil transition of polyalanine and the collapse transition of polyvaline. The present lattice realization permits real protein crystal ...
A general method for the prediction of the three dimensional structure and folding pathway of globular proteins: Application to designed helical proteins
(Georgia Institute of Technology, 1993-05-01)
Starting from amino acid sequence alone, a general approach for simulating folding into the molten globule or rigid, native state depending on sequence is described. In particular, the 3D folds of two simple designed ...