Exploring chemical reactivity of complex systems with path-based coordinates: Role of the distance metric. - Kirill Zinovjev; Iñaki Tuñón (J. Comput. Chem., 2014)

Enlighten2: molecular dynamics simulations of protein-ligand systems made accessible. - Kirill Zinovjev; Marc van der Kamp (Bioinform., 2020)

Elucidation of the Active Form and Reaction Mechanism in Human Asparaginase Type III Using Multiscale Simulations. - Milorad Andjelkovic; Kirill Zinovjev; Carlos Alberto Ramos-Guzmán; Jose Javier Ruiz-Pernía; Iñaki Tuñón (J. Chem. Inf. Model., 2023)

Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations. - Anna Jäckering; Marc van der Kamp; Birgit Strodel; Kirill Zinovjev (J. Chem. Inf. Model., 2024)