Flexible alignment in 3D and its applications. - Adrián Kalászi; Gábor Imre; Miklós Vargyas (J. Cheminformatics, 2011)

Screen3D: A Novel Fully Flexible High-Throughput Shape-Similarity Search Method. - Adrián Kalászi; Dániel Szisz; Gábor Imre; Tímea Polgár (J. Chem. Inf. Model., 2014)

Identifying new topoisomerase II poison scaffolds by combining publicly available toxicity data and 2D/3D-based virtual screening. - Anna Lovrics; Veronika F. S. Pape; Dániel Szisz; Adrián Kalászi; Petra Heffeter; Csaba Magyar; Gergely Szakács (J. Cheminformatics, 2019)