Epik

Rapid and robust pKa predictions

Below are selected publications from 2010; please check here to cite the use of Epik

  •   ö  Greenwood, J. R.; Calkins, D.; Sullivan, A. P.; Shelley, J. C., "Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution," J. Comput. Aided Mol. Des., 2010, 24, 591-604
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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