• closedAccess   QM/MM Theoretical Studies of a de Novo Retro-Aldolase Design 

      De Raffele, Daria; Martí Forés, Sergio; Moliner, Vicent American Chemical Society (2019)
      The design of innovative enzymes is a standing goal to obtain original specific catalysts to work under mild conditions of temperature and pressure. Attempts to get artificial enzymes become particularly difficult when the ...