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Kirill Zinovjev

Showing results (1-10 of 33) with videos related to

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Journal of Chemical Theory and Computation|February 23, 2023
Electrostatic Embedding of Machine Learning PotentialsKirill Zinovjev
The Journal of Physical Chemistry. A|December 1, 2017
Adaptive Finite Temperature String Method in Collective VariablesKirill Zinovjev, Iñaki Tuñón
The Journal of Chemical Physics|October 10, 2015
Transition state ensemble optimization for reactions of arbitrary complexityKirill Zinovjev, Iñaki Tuñón
Proceedings of the National Academy of Sciences of the United States of America|November 5, 2017
Quantifying the limits of transition state theory in enzymatic catalysisKirill Zinovjev, Iñaki Tuñón
Journal of Computational Chemistry|July 3, 2014
Exploring chemical reactivity of complex systems with path-based coordinates: role of the distance metricKirill Zinovjev, Iñaki Tuñón
The Journal of Chemical Physics|November 9, 2015
Publisher's Note: "Transition state ensemble optimization for reactions of arbitrary complexity" [J. Chem. Phys. 143, 134111 (2015)]Kirill Zinovjev, Iñaki Tuñón
The Journal of Physical Chemistry Letters|January 13, 2025
Improved Description of Environment and Vibronic Effects with Electrostatically Embedded ML PotentialsKirill Zinovjev, Carles Curutchet
Journal of Chemical Theory and Computation|November 24, 2015
A Collective Coordinate to Obtain Free Energy Profiles for Complex Reactions in Condensed PhasesKirill Zinovjev, Sergi Martí, Iñaki Tuñón
Bioinformatics (Oxford, England)|July 20, 2020
Enlighten2: molecular dynamics simulations of protein-ligand systems made accessibleKirill Zinovjev, Marc W van der Kamp
The Journal of Physical Chemistry. B|December 23, 2016
Thermal Isomerization Mechanism in Dronpa and Its MutantsDaryna Smyrnova, Kirill Zinovjev, Iñaki Tuñón, et al.
Pageof 4

Showing results (1-10 of 33) with videos related to

Sort By:
Pageof 4
Journal of Chemical Theory and Computation|February 23, 2023
Electrostatic Embedding of Machine Learning PotentialsKirill Zinovjev
The Journal of Physical Chemistry. A|December 1, 2017
Adaptive Finite Temperature String Method in Collective VariablesKirill Zinovjev, Iñaki Tuñón
The Journal of Chemical Physics|October 10, 2015
Transition state ensemble optimization for reactions of arbitrary complexityKirill Zinovjev, Iñaki Tuñón
Proceedings of the National Academy of Sciences of the United States of America|November 5, 2017
Quantifying the limits of transition state theory in enzymatic catalysisKirill Zinovjev, Iñaki Tuñón
Journal of Computational Chemistry|July 3, 2014
Exploring chemical reactivity of complex systems with path-based coordinates: role of the distance metricKirill Zinovjev, Iñaki Tuñón
The Journal of Chemical Physics|November 9, 2015
Publisher's Note: "Transition state ensemble optimization for reactions of arbitrary complexity" [J. Chem. Phys. 143, 134111 (2015)]Kirill Zinovjev, Iñaki Tuñón
The Journal of Physical Chemistry Letters|January 13, 2025
Improved Description of Environment and Vibronic Effects with Electrostatically Embedded ML PotentialsKirill Zinovjev, Carles Curutchet
Journal of Chemical Theory and Computation|November 24, 2015
A Collective Coordinate to Obtain Free Energy Profiles for Complex Reactions in Condensed PhasesKirill Zinovjev, Sergi Martí, Iñaki Tuñón
Bioinformatics (Oxford, England)|July 20, 2020
Enlighten2: molecular dynamics simulations of protein-ligand systems made accessibleKirill Zinovjev, Marc W van der Kamp
The Journal of Physical Chemistry. B|December 23, 2016
Thermal Isomerization Mechanism in Dronpa and Its MutantsDaryna Smyrnova, Kirill Zinovjev, Iñaki Tuñón, et al.
Pageof 4