ALEXANDRIA, Va., Nov. 11 -- United States Patent no. 12,469,582, issued on Nov. 11, was assigned to BIOPHARMICS LLC (Santa Rosa, Calif.).
"Force field based molecular structure and conformer generation" was invented by Ajay Naresh Jain (Santa Rosa, Calif.).
According to the abstract* released by the U.S. Patent & Trademark Office: "Systems and methods for molecular structure generation and conformer elaboration, in which natural physical molecular movements can be combined with a molecular force field that constrains those movements, to rapidly produce conformational variants with relatively low energy. Construction and energy minimization of initial and subsequent 3D molecular models using force field parameters, are combined with altera...