logo
CanyamAI summaries for academic research
language
MobileMobile
  • Phone FeatureWeChat Mini Program
EnglishEnglish
noticeNotice
BlogBlog
delete
arrow
Back
K

Kirill Zinovjev

universitat de valencia

16H-index
84Paper Count
772Citation Count
Published Papers 30
Publication Date
logo
Protonation and magnesium ions shape the transition state diversity of phosphoanhydride hydrolysis in water
errNature Communications
IF15.7
err2026-05-27
err0
errOAAI
errAdrián García-Martínez; Miguel de la Puente; Marion Cunin; Kirill Zinovjev; J. Javier Ruiz-Pernía; Damien Laage; Iñaki Tuñón
errShare
errSave
A scalable kinetic Monte Carlo platform for charge transport dynamics in polymer-based memristive systems
errmater. chem. front.
IF0
err2026-02-26
err0
errOAAI
errGérliz Mercedes Gutiérrez-Finol; Kirill Zinovjev; Alejandro Gaita-Ariño; Salvador Cardona-Serra
errShare
errSave
Enhancing Electrostatic Embedding for ML/MM Free Energy Calculations
errJournal of Chemical Theory and Computation
IF5.5
err2025-11-10
err0
PREAI
errJoão Morado; Kirill Zinovjev; Lester O. Hedges; Daniel J. Cole; Julien Michel
errShare
errSave
Unveiling the Catalytic Mechanism and Conformational Dynamics of Guinea Pig l-Asparaginase Type 1 for Leukemia Drug Design
errACS CATALYSIS
IF13.1
err2025-04-29
err0
PREAI
errAndjelkovic, M; Zinovjev, K; Ruiz-Pernía, JJ; Tunón, I
errShare
errSave
Computational Estimation of Residence Time on Roniciclib and Its Derivatives against CDK2: Extending the Use of Classical and Enhanced Molecular Dynamics Simulations
errACS OMEGA
IF4.3
err2025-04-01
err0
errOAAI
errBravo-Moraga, Felipe; Bedoya, Mauricio; Zinovjev, Kirill; Tunon, Inaki; Alzate-Morales, Jans
errShare
errSave
Advances in the Simulations of Enzyme Reactivity in the Dawn of the Artificial Intelligence Age
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2025-01-19
err0
errOAAI
errSwiderek, K; Bertran, J; Zinovjev, K; Tuñón, I; Moliner, V
errShare
errSave
Improved Description of Environment and Vibronic Effects with Electrostatically Embedded ML Potentials
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-01-13
err1
PREAI
errZinovjev, K; Curutchet, C
errShare
errSave
Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-09-30
err1
errOAAI
errJaeckering, Anna; van der Kamp, Marc; Strodel, Birgit; Zinovjev, Kirill
errShare
errSave
emle-engine: A Flexible Electrostatic Machine Learning Embedding Package for Multiscale Molecular Dynamics Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-28
err7
errOAAI
errZinovjev, Kirill; Hedges, Lester; Montagud Andreu, Ruben; Woods, Christopher; Tunon, Inaki; van der Kamp, Marc W.
errShare
errSave
Activation and friction in enzymatic loop opening and closing dynamics
errNATURE COMMUNICATIONS
IF15.7
err2024-03-20
err2
errOAAI
errZinovjev, Kirill; Guenon, Paul; Ramos-Guzman, Carlos A.; Ruiz-Pernia, J. Javier; Laage, Damien; Tunon, Inaki
errShare
errSave
Conformational Changes and ATP Hydrolysis in Zika Helicase: The Molecular Basis of a Biomolecular Motor Unveiled by Multiscale Simulations
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-11-03
err2
errOAAI
errGarcia-Martinez, Adrian; Zinovjev, Kirill; Ruiz-Pernia, Jose Javier; Tunon, Inaki
errShare
errSave
Free energy along drug-protein binding pathways interactively sampled in virtual reality
errSCIENTIFIC REPORTS
IF3.9
err2023-10-04
err2
errOAAI
errDeeks, Helen M.; Zinovjev, Kirill; Barnoud, Jonathan; Mulholland, Adrian J.; van der Kamp, Marc W.; Glowacki, David R.
errShare
errSave
Tautomer-Specific Deacylation and ?-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2?-Lactamase
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-03-27
err10
errOAAI
errTooke, Catherine L.; Hinchliffe, Philip; Beer, Michael; Zinovjev, Kirill; Colenso, Charlotte K.; Schofield, Christopher J.; Mulholland, Adrian J.; Spencer, James
errShare
errSave
Unveiling the Mechanist i c Singulariti e s of Caspases: A Computational Analysis of the Reaction Mechanism in Human Caspase-1
errACS CATALYSIS
IF13.1
err2023-03-15
err1
errOAAI
errRamos-Guzman, Carlos A. .; Ruiz-Pernia, J. Javier; Zinovjev, Kirill; Tunon, Inaki
errShare
errSave
Electrostatic Embedding of Machine Learning Potentials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-02-23
err22
errOAAI
errZinovjev, Kirill
errShare
errSave
The impact of SARS-CoV-2 3CL protease mutations on nirmatrelvir inhibitory efficiency. Computational insights into potential resistance mechanisms
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err15
errOAAI
errRamos-Guzman, Carlos A.; Andjelkovic, Milorad; Zinovjev, Kirill; Ruiz-Pernia, J. Javier; Tunon, Inaki
errShare
errSave
How a Second Mg2+ Ion Affects the Phosphoryl-Transfer Mechanism in a Protein Kinase: A Computational Study
errACS CATALYSIS
IF13.1
err2020-12-15
err9
errOAAI
errRecabarren, Rodrigo; Zinovjev, Kirill; Tunon, Inaki; Alzate-Morales, Jans
errShare
errSave
Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by Means of X-ray Crystallography and Computational Simulations
errACS CATALYSIS
IF13.1
err2020-01-02
err9
errOAAI
errRoca, Maite; Navas-Yuste, Sergio; Zinovjev, Kirill; Lopez-Estepa, Miguel; Gomez, Sara; Fernandez, Francisco J.; Cristina Vega, M.; Tunon, Inaki
errShare
errSave
Modeling caspase-1 inhibition: Implications for catalytic mechanism and drug design
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
IF5.9
err2019-05-01
err10
PREAI
errRamos-Guzman, Carlos A.; Zinovjev, Kirill; Tunon, Inaki
errShare
errSave
Studying the phosphoryl transfer mechanism of the E. coli phosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations
errCHEMICAL SCIENCE
IF7.4
err2019-01-01
err15
errOAAI
errMurillo-Lopez, Juliana; Zinovjev, Kirill; Pereira, Humberto; Caniuguir, Andres; Garratt, Richard; Babul, Jorge; Recabarren, Rodrigo; Alzate-Morales, Jans; Caballero, Julio; Tunon, Inaki; Cabrera, Ricardo
errShare
errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
M
Michele Parrinello
H-index: 155 · Papers: 924
C
Christopher J. Schofield
H-index: 112 · Papers: 1.3K
J
John Ellis
H-index: 100 · Papers: 960
S
Sharon Hammes‐Schiffer
H-index: 83 · Papers: 679
M
Markus Reiher
H-index: 82 · Papers: 663
View more