Molecular dynamics simulations of the relaxation processes in the condensed matter on GPUs. - Igor V. Morozov; Andrey M. Kazennov; R. G. Bystryi; Genri E. Norman; Vasily V. Pisarev; Vladimir V. Stegailov (Comput. Phys. Commun., 2011)

Impact of distance-based metric learning on classification and visualization model performance and structure-activity landscapes. - Natalia V. Kireeva; Svetlana I. Ovchinnikova; Sergey L. Kuznetsov; Andrey M. Kazennov; Aslan Yu. Tsivadze (J. Comput. Aided Mol. Des., 2014)

Monte Carlo on the manifold and MD refinement for binding pose prediction of protein-ligand complexes: 2017 D3R Grand Challenge. - Mikhail Ignatov; Cong Liu 031; Andrey Alekseenko; Zhuyezi Sun; Dzmitry Padhorny; Sergei Kotelnikov; Andrey M. Kazennov; Ivan Grebenkin; Yaroslav Kholodov; Istvan Kolosvari; Alberto Pérez; Ken A. Dill; et al. (J. Comput. Aided Mol. Des., 2019)