Molecular Dynamics Study of Streptavidin Binding to Surface-Immobilized Biotin. - Qingbin Li; Sergey Gusarov; Andriy Kovalenko 001 (ISCSCT (2), 2008)

Mesoscopic study of dynamics and gelation ability of oligomeric electrolyte gelator with dissipative particle dynamics. - X. Liu; O. Lyubimova; A. E. Kobryn; Sergey Gusarov; Andriy Kovalenko 001 (ICCS, 2011)

Solvation structure and gelation ability of polyelectrolytes: predictions by quantum chemistry methods and integral equation theory of molecular liquids. - O. Lyubimova; X. Liu; Sergey Gusarov; A. E. Kobryn; Andriy Kovalenko 001 (ICCS, 2011)

Efficient treatment of solvation shells in 3D molecular theory of solvation. - Sergey Gusarov; Bhalchandra S. Pujari; Andriy Kovalenko 001 (J. Comput. Chem., 2012)

Computational Analysis of the SARS-CoV-2 RBD-ACE2-Binding Process Based on MD and the 3D-RISM Theory. - Norio Yoshida; Yutaka Maruyama; Ayori Mitsutake; Akiyoshi Kuroda; Ryo Fujiki; Kodai Kanemaru; Daisuke Okamoto; Alexander E. Kobryn; Sergey Gusarov; Haruyuki Nakano (J. Chem. Inf. Model., 2022)