Folding, Design and Determination of Interaction Potentials Using Off-Lattice Dynamics of Model Heteropolymers

Cecilia Clementi, Amos Maritan, Jayanth R. Banavar

Published 1998-02-25Version 1

We present the results of a self-consistent, unified molecular dynamics study of simple model heteropolymers in the continuum with emphasis on folding, sequence design and the determination of the interaction parameters of the effective potential between the amino acids from the knowledge of the native states of the designed sequences.