Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution. - Jeremy R. Greenwood; David Calkins; Arron P. Sullivan; John C. Shelley (J. Comput. Aided Mol. Des., 2010)

Comments on the Article "Evaluation of pKa Estimation Methods on 211 Druglike Compounds". - John C. Shelley; David Calkins; Arron P. Sullivan (J. Chem. Inf. Model., 2011)

An Overview of RoboGames [Competitions]. - David Calkins (IEEE Robotics Autom. Mag., 2011)

Automated Protocol for Large-Scale Modeling of Gene Expression Data. - Michelle Lynn Hall; David Calkins; Woody Sherman (J. Chem. Inf. Model., 2016)