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Kirill Zinovjev

About Kirill Zinovjev

Kirill Zinovjev, With an exceptional h-index of 13 and a recent h-index of 10 (since 2020), a distinguished researcher at Universidad de Valencia, specializes in the field of Computational chemistry, enzymology, free energy calculation.

His recent articles reflect a diverse array of research interests and contributions to the field:

Activation and friction in enzymatic loop opening and closing dynamics

emle-engine: a flexible electrostatic machine learning embedding package for multiscale molecular dynamics simulations

4‐Thiaproline accelerates the slow folding phase of proteins containing cis prolines in the native state by two orders of magnitude

Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations

Conformational Changes and ATP Hydrolysis in Zika Helicase: The Molecular Basis of a Biomolecular Motor Unveiled by Multiscale Simulations

Free energy along drug-protein binding pathways interactively sampled in virtual reality

Elucidation of the Active Form and Reaction Mechanism in Human Asparaginase Type III Using Multiscale Simulations

Loop opening and closing dynamics in enzymes: activated or friction-limited? The case of protein tyrosine phosphatases

Kirill Zinovjev Information

University

Position

___

Citations(all)

506

Citations(since 2020)

317

Cited By

300

hIndex(all)

13

hIndex(since 2020)

10

i10Index(all)

16

i10Index(since 2020)

12

Email

University Profile Page

Google Scholar

Kirill Zinovjev Skills & Research Interests

Computational chemistry

enzymology

free energy calculation

Top articles of Kirill Zinovjev

Activation and friction in enzymatic loop opening and closing dynamics

Nature Communications

2024/3/20

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Damien Laage
Damien Laage

H-Index: 29

Iñaki Tuñón
Iñaki Tuñón

H-Index: 24

emle-engine: a flexible electrostatic machine learning embedding package for multiscale molecular dynamics simulations

2024/2/27

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Lester Hedges
Lester Hedges

H-Index: 13

Christopher Woods
Christopher Woods

H-Index: 15

Iñaki Tuñón
Iñaki Tuñón

H-Index: 24

4‐Thiaproline accelerates the slow folding phase of proteins containing cis prolines in the native state by two orders of magnitude

Protein Science

2024/2

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Marc Van Der Kamp
Marc Van Der Kamp

H-Index: 21

Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations

bioRxiv

2024

Marc Van Der Kamp
Marc Van Der Kamp

H-Index: 21

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

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

2023/11/3

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Iñaki Tuñón
Iñaki Tuñón

H-Index: 24

Free energy along drug-protein binding pathways interactively sampled in virtual reality

Scientific Reports

2023/10/4

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Jonathan Barnoud
Jonathan Barnoud

H-Index: 13

Elucidation of the Active Form and Reaction Mechanism in Human Asparaginase Type III Using Multiscale Simulations

Journal of Chemical Information and Modeling

2023/8/28

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Iñaki Tuñón
Iñaki Tuñón

H-Index: 24

Loop opening and closing dynamics in enzymes: activated or friction-limited? The case of protein tyrosine phosphatases

2023/7/3

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Damien Laage
Damien Laage

H-Index: 29

Iñaki Tuñón
Iñaki Tuñón

H-Index: 24

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

2023/3/27

Philip Hinchliffe
Philip Hinchliffe

H-Index: 18

Michael Beer
Michael Beer

H-Index: 27

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Unveiling the Mechanistic Singularities of Caspases: A Computational Analysis of the Reaction Mechanism in Human Caspase-1

ACS catalysis

2023/3/15

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Iñaki Tuñón
Iñaki Tuñón

H-Index: 24

Electrostatic embedding of machine learning potentials

Journal of Chemical Theory and Computation

2023/2/23

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

The impact of SARS-CoV-2 3CL protease mutations on nirmatrelvir inhibitory efficiency. Computational insights into potential resistance mechanisms

Chemical science

2023

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Iñaki Tuñón
Iñaki Tuñón

H-Index: 24

Virtual reality sampled pathways guide free energy calculation of protein-ligand binding

2022/4/19

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Jonathan Barnoud
Jonathan Barnoud

H-Index: 13

Adrian Mulholland
Adrian Mulholland

H-Index: 35

Marc Van Der Kamp
Marc Van Der Kamp

H-Index: 21

Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible

Bioinformatics

2020/10/15

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Elucidating the catalytic reaction mechanism of orotate phosphoribosyltransferase by means of X-ray crystallography and computational simulations

ACS Catalysis

2020/1/2

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

How a Second Mg2+ Ion Affects the Phosphoryl-Transfer Mechanism in a Protein Kinase: A Computational Study

ACS Catalysis

2020/12/15

Kirill Zinovjev
Kirill Zinovjev

H-Index: 10

Iñaki Tuñón
Iñaki Tuñón

H-Index: 24

See List of Professors in Kirill Zinovjev University(Universidad de Valencia)