• 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 ...
    • openAccess   Understanding the Directed Evolution of De Novo Retro-Aldolases from QM/MM Studies 

      De Raffele, Daria; Martí, Sergio; Moliner, Vicent American Chemical Society (2020-05-15)
      In an era in which climatic change puts the planet at risk, the study and development of alternative green chemistry which can help and improve our life can play an essential role. In this context, the use of artificial ...