US Patent Issued to Schrodinger on Sept. 16 for "Methods and systems for calculating free energy differences using a modified bond stretch potential" (New York Inventors)

ALEXANDRIA, Va., Sept. 17 -- United States Patent no. 12,417,821, issued on Sept. 16, was assigned to Schrodinger LLC (New York).

"Methods and systems for calculating free energy differences using a modified bond stretch potential" was invented by Robert Abel (Brooklyn, N.Y.) and Lingle Wang (New York).

According to the abstract* released by the U.S. Patent & Trademark Office: "A method and system for calculating the free energy difference between a target state and a reference state. The method includes determining one or more intermediate states using a coupling parameter, performing molecular simulations to obtain ensembles of micro-states for each of the system states, and calculating the free energy difference by an analysis of the e...