Results of large-scale benchmark test of AToM-OpenMM at Roivant Sciences.

The results of a large-scale benchmark study of AToM-OpenMM conducted at Roivant Sciences and Psivant  are now available on ArXiv.  The study involved more than 500 relative binding free energy calculations and confirmed the applicability of AToM-OpenMM for binding free energy virtual screening campaigns in support of lead optimization in drug discovery.