ChemNet: A Novel Neural Network Based Method for Graph/Property Mapping. - Dmitry B. Kireev (J. Chem. Inf. Comput. Sci., 1995)

Automated docking of 82 N-benzylpiperidine derivatives to mouse acetylcholinesterase and comparative molecular field analysis with 'natural' alignment. - Philippe Bernard; Dmitri B. Kireev; Jacques R. Chrétien; Pierre-Louis Fortier; Lucien Coppet (J. Comput. Aided Mol. Des., 1999)

Assessment of free energy predictors for ligand binding to a methyllysine histone code reader. - Cen Gao; J. Martin Herold; Dmitri B. Kireev (J. Comput. Chem., 2012)

Structural Protein-Ligand Interaction Fingerprints (SPLIF) for Structure-Based Virtual Screening: Method and Benchmark Study. - C. Da; Dmitri B. Kireev (J. Chem. Inf. Model., 2014)