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 | 115 | 2021 |
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 | 13 | 2019 |
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 | 11 | 2021 |
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 | 6 | 2021 |
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 | 3 | 2022 |
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 | 2 | 2022 |
Inhibition studies on the human 20S proteasome: molecular insights from a computational approach N Serrano Aparicio Universitat Jaume I, 2022 | | 2022 |