Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields. - Ganesh Kamath; Igor Kurnikov; Boris Fain; Igor V. Leontyev; Alexey A. Illarionov; Oleg Butin; Michael A. Olevanov; Leonid B. Pereyaslavets (J. Comput. Aided Mol. Des., 2016)

Computational modeling and in-vitro/in-silico correlation of phospholipid-based prodrugs for targeted drug delivery in inflammatory bowel disease. - Arik Dahan; Milica Markovic; Shahar Keinan; Igor Kurnikov; Aaron Aponick; Ellen M. Zimmermann; Shimon Ben-Shabat (J. Comput. Aided Mol. Des., 2017)