Zinovjevs, Kirils: search on Z-Library

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1

Inhibition of carnitine acetyltransferase by mildronate, a regulator of energy metabolism

Jaudzems, Kristaps, Kuka, Janis, Gutsaits, Aleksandrs, Zinovjevs, Kirils, Kalvinsh, Ivars, Liepinsh, Edgars, Liepinsh, Edvards, Dambrova, Maija

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 1.16 MB

english, 2009

2

Toward an Automatic Determination of Enzymatic Reaction Mechanisms and Their Activation Free Energies

Zinovjev, Kirill, Ruiz-Pernía, J. Javier, Tuñón, Iñaki

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 565 KB

english, 2013

3

A Collective Coordinate to Obtain Free Energy Profiles for Complex Reactions in Condensed Phases

Zinovjev, Kirill, Martí, Sergi, Tuñón, Iñaki

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 1.03 MB

english, 2012

4

Linking Electrostatic Effects and Protein Motions in Enzymatic Catalysis. A Theoretical Analysis of Catechol O -Methyltransferase

García-Meseguer, Rafael, Zinovjev, Kirill, Roca, Maite, Ruiz-Pernía, Javier J., Tuñón, Iñaki

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 989 KB

english, 2015

5

Dynamics and Reactivity in Thermus aquaticus N6-Adenine Methyltransferase

Aranda, Juan, Zinovjev, Kirill, Roca, Maite, Tuñón, Iñaki

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 768 KB

english, 2014

6

Exploring chemical reactivity of complex systems with path-based coordinates: Role of the distance metric

Zinovjev, Kirill, Tuñón, Iñaki

Journal:

Journal of Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 532 KB

english, 2014

7

Dehydrochlorination of Hexachlorocyclohexanes Catalyzed by the LinA Dehydrohalogenase. A QM/MM Study

Manna, Rabindra Nath, Zinovjev, Kirill, Tuñón, Iñaki, Dybala-Defratyka, Agnieszka

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 1.39 MB

english, 2015

8

Unraveling the Reaction Mechanism of Enzymatic C5-Cytosine Methylation of DNA. A Combined Molecular Dynamics and QM/MM Study of wild type and Gln119 variant

Aranda, Juan, Zinovjev, Kirill, Świderek, Katarzyna, Roca, Maite, Tuñón, Iñaki

Journal:

Year:

2016

Language:

english

File:

PDF, 2.02 MB

english, 2016

9

Thermal Isomerization Mechanism in Dronpa and Its Mutants

Smyrnova, Daryna, Zinovjev, Kirill, Tuñón, Iñaki, Ceulemans, Arnout

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 1.20 MB

english, 2016

10

Transition state ensemble optimization for reactions of arbitrary complexity

Zinovjev, Kirill, Tuñón, Iñaki

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.11 MB

english, 2015

11

Quantifying the limits of transition state theory in enzymatic catalysis

Zinovjev, Kirill, Tuñón, Iñaki

Journal:

Proceedings of the National Academy of Sciences

Year:

2017

Language:

english

File:

PDF, 712 KB

english, 2017

12

Adaptive Finite Temperature String Method in Collective Variables

Zinovjev, Kirill, Tuñón, Iñaki

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.97 MB

english, 2017

13

Catalytic Reaction Mechanism in Native and Mutant COMT from the Adaptive String Method and Mean Reaction Force Analysis

Saez, David Adrian, Zinovjev, Kirill, Tuñón, Iñaki, Vöhringer-Martinez, Esteban

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 5.70 MB

english, 2018

14

Studying the phosphoryl transfer mechanism of the E. coli phosphofructokinase-2: From x-ray structure to quantum mechanics/molecular mechanics simulations

Murillo, Juliana, Zinovjev, Kirill, Pereira, Humberto DMuniz, Caniuguir, Andrés, Garrat, Richard, Babul, Jorge, Recabarren, Rodrigo, Alzate-Morales, Jans, Caballero, Julio, Tuñón, Iñaki, Cabrera, Rica

Journal:

Chemical Science

Year:

2019

Language:

english

File:

PDF, 830 KB

english, 2019

15

Publisher’s Note: “Transition state ensemble optimization for reactions of arbitrary complexity” [J. Chem. Phys. 143, 134111 (2015)]

Zinovjev, Kirill, Tuñón, Iñaki

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 282 KB

english, 2015

16

A first peek into sub-picosecond dynamics of spin energy levels in magnetic biomolecules

Rosaleny, Lorena Estefanía, Zinovjev, Kirill, Tuñón, Iñaki, Gaita-Ariño, Alejandro

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.04 MB

english, 2019

17

A first peek into sub-picosecond dynamics of spin energy levels in magnetic biomolecules

Rosaleny, Lorena Estefanía, Zinovjev, Kirill, Tuñón, Iñaki, Gaita-Ariño, Alejandro

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 1.04 MB

2019

18

Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by means of X-ray Crystallography and Computational Simulations

Roca, Maite, Navas-Yuste, Sergio, Zinovjev, Kirill, López-Estepa, Miguel, Gómez, Sara, Fernandez, Francisco José, Vega, M. Cristina, Tuñón, Iñaki

Journal:

Year:

2020

File:

PDF, 1.29 MB

2020

19

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

Zinovjev, Kirill, van der Kamp, Marc W, Ponty, Yann

Journal:

Year:

2020

File:

PDF, 348 KB

2020