John C. Shelley

2 ta ish

Schrodinger (United States)

1. Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution

   Jeremy R. Greenwood, David R. Calkins, Arron Sullivan +1

   Maqola20104 iqtibos

   ABIABI:AkademIndex/2026.other.240682

2. Epik: a software program for pK a prediction and protonation state generation for drug-like molecules

   John C. Shelley, Anuradha Cholleti, Leah L. Frye +3

   Maqola20072 iqtibos

   ABIABI:AkademIndex/2026.other.240684