Kirill Zinovjev

ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 11

Top Venues

Journal of chemical theory and computation

Journal of the American Chemical Society

Physical chemistry chemical physics : PCCP

ACS catalysis

University of Bristol

Universitat de València (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Bristol Dec 01 2018

United Kingdom

Research Associate :: School of Biochemistry

Universitat de València Feb 15 2017

Spain

Research Assistant :: departamento de Química Física

Latvian Institute of Organic Synthesis May 01 2007 - Jul 01 2010

Latvia

Research Assistant :: department of physical chemistry

Education History

Universitat de València Sep 01 2012 - May 25 2017

Spain

PHD

Universitat de València Sep 01 2010 - Jun 20 2012

Spain

MSC

Riga Technical University Sep 01 2006 - Jun 22 2010

Latvia

BSC

Publications

Kirill Zinovjev, Lester Hedges, Rubén Montagud Andreu, Christopher Woods, Iñaki Tuñón, Marc W Van der Kamp
emle-engine : A Flexible Electrostatic Machine Learning Embedding Package for Multiscale Molecular Dynamics Simulations. Journal of chemical theory and computation 20 (11) (2024)
Kirill Zinovjev, Lester Hedges, Rubén Montagud Andreu, Christopher Woods, Iñaki Tuñón, Marc W Van der Kamp
emle-engine : A Flexible Electrostatic Machine Learning Embedding Package for Multiscale Molecular Dynamics Simulations. Journal of chemical theory and computation 20 (11) (2024)
Kirill Zinovjev, Lester Hedges, Rubén Montagud Andreu, Christopher Woods, Iñaki Tuñón, Marc W Van der Kamp
emle-engine : A Flexible Electrostatic Machine Learning Embedding Package for Multiscale Molecular Dynamics Simulations. Journal of chemical theory and computation (2024)
Kirill Zinovjev, Lester Hedges, Rubén Montagud Andreu, Christopher Woods, Iñaki Tuñón, Marc W Van der Kamp
emle-engine : A Flexible Electrostatic Machine Learning Embedding Package for Multiscale Molecular Dynamics Simulations. Journal of chemical theory and computation 20 (11) (2024)
Adrián García-Martínez, Kirill Zinovjev, Jose Javier Ruiz-Pernía, Iñaki Tuñón
Conformational Changes and ATP Hydrolysis in Zika Helicase: The Molecular Basis of a Biomolecular Motor Unveiled by Multiscale Simulations. Journal of the American Chemical Society (2023)
Carlos Alberto Ramos-Guzmán, Jose Javier Ruiz-Pernía, Kirill Zinovjev, Iñaki Tuñón
Unveiling the Mechanistic Singularities of Caspases: A Computational Analysis of the Reaction Mechanism in Human Caspase-1. ACS catalysis 13 (7) (2023)
Kirill Zinovjev
Electrostatic Embedding of Machine Learning Potentials. Journal of chemical theory and computation (2023)
Catherine L Tooke, Philip Hinchliffe, Michael Beer, Kirill Zinovjev, Charlotte K Colenso, Christopher J Schofield, Adrian J Mulholland, James Spencer
Tautomer-Specific Deacylation and Ω-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 β-Lactamase. Journal of the American Chemical Society (2023)
Milorad Andjelkovic, Kirill Zinovjev, Carlos Alberto Ramos-Guzmán, Jose Javier Ruiz-Pernía, Iñaki Tuñón
Elucidation of the Active Form and Reaction Mechanism in Human Asparaginase Type III Using Multiscale Simulations. Journal of chemical information and modeling (2023)
Kirill Zinovjev, Marc W Van der Kamp
Enlighten2: molecular dynamics simulations of protein-ligand systems made accessible. Bioinformatics (Oxford, England) 36 (20) (2021)
Lorena E Rosaleny, Kirill Zinovjev, Iñaki Tuñón, Alejandro Gaita-Ariño
A first peek into sub-picosecond dynamics of spin energy levels in magnetic biomolecules. Physical chemistry chemical physics : PCCP 21 (21) (2019)

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Publication Activity (10 Years)

Top Topics

Top Venues

Kirill Zinovjev