Epik

Rapid and robust pKa predictions

Below are selected publications from 2007; please check here to cite the use of Epik

  •   ö  Shelley, J.C.; Cholleti, A.; Frye, L; Greenwood, J.R.; Timlin, M.R.; Uchimaya, M., "Epik: a software program for pKa prediction and protonation state generation for drug-like molecules," J. Comp.-Aided Mol. Design, 2007, 21, 681-691
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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