In Silico Prediction of Drug–Drug Interactions Mediated by Cytochrome P450 Isoforms

by Alexander V. Dmitriev, Anastassia V. Rudik, Dmitry A. Karasev, Pavel V. Pogodin, Alexey A. Lagunin, Dmitry A. Filimonov, Vladimir V. Poroikov
Published 2021-04-01

How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

by Pavel V. Pogodin, Alexey A. Lagunin, Alexey A. Lagunin, Anastasia V. Rudik, Dmitry A. Filimonov, Dmitry S. Druzhilovskiy, Mark C. Nicklaus, Vladimir V. Poroikov
Published 2018-04-01

CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds.

by Alexey A Lagunin, Varvara I Dubovskaja, Anastasia V Rudik, Pavel V Pogodin, Dmitry S Druzhilovskiy, Tatyana A Gloriozova, Dmitry A Filimonov, Narahari G Sastry, Vladimir V Poroikov
Published 2018-01-01

Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors

by Alexey A. Lagunin, Alexey A. Lagunin, Maria A. Romanova, Anton D. Zadorozhny, Natalia S. Kurilenko, Boris V. Shilov, Pavel V. Pogodin, Sergey M. Ivanov, Sergey M. Ivanov, Dmitry A. Filimonov, Vladimir V. Poroikov
Published 2018-10-01