Patent ID: 8682590

Claim:
A method for determining an equilibrium structure of a protein in a predetermined environment, the protein having Ramachandran angles and a known denatured structure, comprising: (a) determining a maximum RMS volume of the known denatured structure of the protein; (b) calculating at least one force on the protein in its current structure in the predetermined environment; (c) determining, for each of the Ramachandran angles of the protein, at least one net torque resulting from the at least one force; (d) determining a greatest net torque from among the net torque(s) as determined in (c); (e) rotating at least one section of protein structure only on a side of a Ramachandran angle with the greatest net torque as determined in (d) to form a new structure; (f) determining a new RMS volume for the new structure; (g) determining the equilibrium structure of the protein by repeating (b) to (f) until the new RMS volume of the new protein structure at (f) is not less than the RMS volume of the structure of the protein in (a); and wherein, one or more of the features (a)-(g) are performed using a computer programmed to perform said one or more features.