Kirill Zinovjev

14PUBLICATIONS
27CO-AUTHORS
Catalysis and mechanisms of reactionsChemical and thermal processes in energy and combustionMicroelectromechanical systems (MEMS)Cancer therapy (excl. chemotherapy and radiation therapy)Electrostatics and electrodynamics
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Publications (14)

|May 27, 2026
Protonation and magnesium ions shape the transition state diversity of phosphoanhydride hydrolysis in water.

|Mar 12, 2026
Simulating enzyme catalysis with electrostatically embedded machine learning potentials.

Valentin Gradisteanu, Elliot W Chan, Lester Hedges

|Nov 10, 2025
Enhancing Electrostatic Embedding for ML/MM Free Energy Calculations.

João Morado, Kirill Zinovjev, Lester O Hedges

|May 05, 2025
Computational Estimation of Residence Time on Roniciclib and Its Derivatives against CDK2: Extending the Use of Classical and Enhanced Molecular Dynamics Simulations.

Felipe Bravo-Moraga, Mauricio Bedoya, Kirill Zinovjev

|Jan 13, 2025
Improved Description of Environment and Vibronic Effects with Electrostatically Embedded ML Potentials.

Kirill Zinovjev, Carles Curutchet

|Sep 30, 2024
Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations.

Anna Jäckering, Marc van der Kamp, Birgit Strodel

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Frequent Collaborators

8 joint publications

Iñaki Tuñón

4 joint publications

Marc W van der Kamp

4 joint publications

Jose Javier Ruiz-Pernía

2 joint publications

Damien Laage