I agree that this site is using cookies. You can find further informations here.
X
Arafet, Kemel
40  results:
Search for persons X
?
1

Computational study of the mechanism of a polyurethane este..:

Świderek, Katarzyna ; Martí, Sergio ; Arafet, Kemel.
Faraday Discussions.  , 2024
Link: https://doi.org/10.1039/..
 
?
2

Peptidyl nitroalkene inhibitors of main protease rationaliz..:

Medrano, Francisco J. ; de la Hoz-Rodríguez, Sergio ; Martí, Sergio...
Communications Chemistry.  7 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
?
3

Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S ..:

Arafet, Kemel ; Scalvini, Laura ; Galvani, Francesca...
Journal of Chemical Information and Modeling.  63 (2023)  4 - p. 1301-1312 , 2023
Link: https://doi.org/10.1021/..
 
?
4

Impact of the Recognition Part of Dipeptidyl Nitroalkene Co..:

Arafet, Kemel ; Royo, Santiago ; Schirmeister, Tanja...
ACS Catalysis.  13 (2023)  9 - p. 6289-6300 , 2023
Link: https://doi.org/10.1021/..
 
?
5

Mechanism of inhibition of SARS-CoV-2 Mpro by N3 peptidyl M..:

Arafet, Kemel ; Serrano-Aparicio, Natalia ; Lodola, Alessio...
Chemical Science.  12 (2021)  4 - p. 1433-1444 , 2021
Link: https://doi.org/10.1039/..
 
?
6

QM/MM Study of the Enzymatic Biodegradation Mechanism of Po..:

Boneta, Sergio ; Arafet, Kemel ; Moliner, Vicent
Journal of Chemical Information and Modeling.  61 (2021)  6 - p. 3041-3051 , 2021
Link: https://doi.org/10.1021/..
 
?
7

Impact of Warhead Modulations on the Covalent Inhibition of..:

Martí, Sergio ; Arafet, Kemel ; Lodola, Alessio...
ACS Catalysis.  12 (2021)  1 - p. 698-708 , 2021
Link: https://doi.org/10.1021/..
 
?
8

Caught in Action: X-ray Structure of Thymidylate Synthase w..:

Kholodar, Svetlana A. ; Finer-Moore, Janet S. ; Świderek, Katarzyna...
Biochemistry.  60 (2021)  16 - p. 1243-1247 , 2021
Link: https://doi.org/10.1021/..
 
?
9

Elucidating the Dual Mode of Action of Dipeptidyl Enoates i..:

Arafet, Kemel ; González, Florenci V. ; Moliner, Vicent
Chemistry – A European Journal.  27 (2021)  39 - p. 10142-10150 , 2021
Link: https://doi.org/10.1002/..
 
?
10

Quantum Mechanics/Molecular Mechanics Studies of the Mechan..:

Arafet, Kemel ; González, Florenci V. ; Moliner, Vicent
Chemistry – A European Journal.  26 (2020)  9 - p. 2002-2012 , 2020
Link: https://doi.org/10.1002/..
 
?
11

Cover Feature: Quantum Mechanics/Molecular Mechanics Studie..:

Arafet, Kemel ; González, Florenci V. ; Moliner, Vicent
Chemistry – A European Journal.  26 (2019)  9 - p. 1891-1891 , 2019
Link: https://doi.org/10.1002/..
 
?
12

Quantum mechanics/molecular mechanics studies of the mechan..:

Arafet, Kemel ; Ferrer, Silvia ; González, Florenci V..
Physical Chemistry Chemical Physics.  19 (2017)  20 - p. 12740-12748 , 2017
Link: https://doi.org/10.1039/..
 
?
13

Benchmarking Quantum Mechanics/Molecular Mechanics (QM/MM) ..:

Świderek, Katarzyna ; Arafet, Kemel ; Kohen, Amnon.
Journal of Chemical Theory and Computation.  13 (2017)  3 - p. 1375-1388 , 2017
Link: https://doi.org/10.1021/..
 
?
14

Computational Study of the Catalytic Mechanism of the Cruza..:

Arafet, Kemel ; Ferrer, Silvia ; Moliner, Vicent
ACS Catalysis.  7 (2017)  2 - p. 1207-1215 , 2017
Link: https://doi.org/10.1021/..
 
?
15

First Quantum Mechanics/Molecular Mechanics Studies of the ..:

Arafet, Kemel ; Ferrer, Silvia ; Moliner, Vicent
Biochemistry.  54 (2015)  21 - p. 3381-3391 , 2015
Link: https://doi.org/10.1021/..
 
1-15