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Natalia Serrano-Aparicio
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Mechanism of inhibition of SARS-CoV-2 M pro by N3 peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical reactivity
K Arafet, N Serrano-Aparicio, A Lodola, AJ Mulholland, FV González, ...
Chemical Science 12 (4), 1433-1444, 2021
1022021
Theoretical study of the inhibition mechanism of human 20S proteasome by dihydroeponemycin
N Serrano-Aparicio, K Świderek, V Moliner
European journal of medicinal chemistry 164, 399-407, 2019
132019
Nature of Irreversible Inhibition of Human 20S Proteasome by Salinosporamide A. The Critical Role of Lys–Asp Dyad Revealed from Electrostatic Effects Analysis
N Serrano-Aparicio, V Moliner, K Świderek
ACS Catalysis 11 (6), 3575-3589, 2021
102021
On the Origin of the Different Reversible Characters of Salinosporamide A and Homosalinosporamide A in the Covalent Inhibition of the Human 20S Proteasome
N Serrano-Aparicio, V Moliner, K Świderek
ACS Catalysis 11 (18), 11806-11819, 2021
62021
Theoretical Studies of the Self Cleavage Pistol Ribozyme Mechanism
N Serrano-Aparicio, K Świderek, I Tuñón, V Moliner, J Bertran
Topics in Catalysis 65 (1-4), 505-516, 2022
22022
Covalent Inhibition of the Human 20S Proteasome with Homobelactosin C Inquired by QM/MM Studies
N Serrano-Aparicio, S Ferrer, K Świderek
Pharmaceuticals 15 (5), 531, 2022
12022
Inhibition studies on the human 20S proteasome: molecular insights from a computational approach
N Serrano Aparicio
Universitat Jaume I, 2022
2022
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