Evaluation of Force-Field Calculations of Lattice Energies on a Large Public Dataset, Assessment of Pharmaceutical Relevance, and Comparison to Density Functional Theory.
Richard Marchese RobinsonDawn GeatchesChris MorrisRebecca MackenzieAndrew G. P. MaloneyKevin J. RobertsAlexandru MoldovanErnest ChowKlimentina PenchevaDinesh Ramesh Mirpuri VatvaniPublished in: J. Chem. Inf. Model. (2019)