A METHOD FOR DETERMINING AND PREDICTING PROTEIN AUTONOMOUS FOLDING

摘要

Techniques for determining an equilibrium structure of a protein in a predetermined environment, the protein having Ramachandran angles and a known denatured structure, are disclosed. In a preferred embodiment, a method is presented which involves determining a maximum RMS volume of the known denatured structure of the protein and calculating at least one force on the protein in its current structure in the predetermined environment. The net torque resulting from the at least one force for each of the Ramachandran angles of the protein is then determined. Then at least one section of the protein structure on a side of a Ramachandran angle with greatest torque is rotated to form a new structure. A new RMS volume for the new structure is then calculated, and the method is repeated using the new structure. The method ceases when the new RMS volume of the new protein structure is not less than the RMS volume of the starting structure.