Controlled-advancement rigid-body optimization of nanosystems. - Petr Popov; Sergei Grudinin; Andrii Kurdiuk; Pavel Buslaev; Stephane Redon (J. Comput. Chem., 2019)

Unraveling viral drug targets: a deep learning-based approach for the identification of potential binding sites. - Petr Popov; Roman Kalinin; Pavel Buslaev; Igor Kozlovskii; Mark Zaretckii; Dmitry Karlov; Alexander Gabibov; Alexey Stepanov (Briefings Bioinform., 2024)

phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS. - Anton Jansen; Noora Aho; Gerrit Groenhof; Pavel Buslaev; Berk Hess (J. Chem. Inf. Model., 2024)