• closedAccess   Hydrolysis of Phosphotriesters: A Theoretical Analysis of the Enzymatic and Solution Mechanisms 

      López Canut, Violeta; Ruiz-Pernía, José Javier; Castillo, Raquel; Moliner, Vicent; Tuñón, Iñaki Wiley (2012-07)
      A theoretical study on the alkaline hydrolysis of paraoxon, one of the most popular organophosphorus pesticides, in aqueous solution and in the active site of Pseudomonas diminuta phosphotriesterase (PTE) is presented. ...
    • openAccess   Theoretical Studies of the Self Cleavage Pistol Ribozyme Mechanism 

      Serrano Aparicio, Natalia; Świderek, Katarzyna; Tuñón, Iñaki; Moliner, Vicent; Bertran, Joan Springer (2021-08-25)
      Ribozymes are huge complex biological catalysts composed of a combination of RNA and proteins. Nevertheless, there is a reduced number of small ribozymes, the self-cleavage ribozymes, that are formed just by RNA and, ...