Flexible effective fragment QM/MM method: Validation through the challenging tests. - Alexander V. Nemukhin; Bella L. Grigorenko; Igor A. Topol; Stanley K. Burt (J. Comput. Chem., 2003)

Benchmarking Quantum Chemistry Methods in Calculations of Electronic Excitations. - Bella L. Grigorenko; Vladimir A. Mironov; Igor V. Polyakov; Alexander V. Nemukhin (Supercomput. Front. Innov., 2018)

Computational Modeling of the SARS-CoV-2 Main Protease Inhibition by the Covalent Binding of Prospective Drug Molecules. - Alexander V. Nemukhin; Bella L. Grigorenko; Igor V. Polyakov; Sofya V. Lushchekina (Supercomput. Front. Innov., 2020)