Loading patent…
AssigneesBoard of Trustees of Michigan State University, University of Florida Research Foundation, Inc.
InventorsZheng Zheng, Kenneth M. Merz, JR.
Estimating the term…
Disclosed herein is a method of estimating the pose of a ligand in a receptor comprising identifying all possible atom pairs of protein-ligand complexes in a given configuration space for a system that comprises proteins; creating a first database and a second database; where the first database comprises associated pairwise distant dependent energies and where the second database comprises all probabilities that include how the atom pairs can combine; combining the first database with the second database via statistical mechanics to accurately estimate binding free energies as well as a pose of a ligand in a receptor; and selecting a protein-ligand complex for further study.
A method of estimating a pose of a ligand in a protein receptor comprising:
A system comprising:
A method of estimating a pose of a ligand in a protein receptor comprising:
Dependencies are inferred from the claim text.