2 code implementations • 13 May 2021 • David F. Hahn, Christopher I. Bayly, Hannah E. Bruce Macdonald, John D. Chodera, Vytautas Gapsys, Antonia S. J. S. Mey, David L. Mobley, Laura Perez Benito, Christina E. M. Schindler, Gary Tresadern, Gregory L. Warren
Free energy calculations are rapidly becoming indispensable in structure-enabled drug discovery programs.