Now showing items 1-4 of 4
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 ...
A reduced model of short range interactions in polypeptide chains
(Georgia Institute of Technology, 1995-09-08)
A simple model of short range interactions is proposed for a reduced lattice representation of polypeptide conformation. The potential is derived on the basis of statistical regularities seen in the known crystal structures ...
Computer design of idealized β-motifs
(Georgia Institute of Technology, 1995-12-15)
A lattice model of protein conformation and dynamics is used to explore the requirements for the de novo folding from an arbitrary random coil state of idealized models of four and six-member β-barrels. A number of possible ...
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 ...