• openAccess   A QM/MM study on the origin of retro-aldolase activity of a catalytic antibody 

      de Raffele, daria; Martí, Sergio; Moliner, Vicent The Royal Society of Chemistry (2021-04-26)
      The retro-aldolase mechanism of methodol catalysed by the catalytic antibody 33F12 is described based on the exploration of the free energy landscape obtained with QM/MM methods. The amino acids involved in the reaction ...
    • openAccess   Photoreversible formation of nanotubes in water from an amphiphilic azobenzene derivative 

      Navarro Barreda, Diego; Angulo-Pachón, César A.; Galindo, Francisco; Miravet, Juan The Royal Society of Chemistry (2021-10-13)
      An anionic azobenzene-appended derivative of L-ValylGlycine self-assembles into nanotubes in water. Irradiation with 365 nm light provokes trans–cis isomerization of the azobenzene unit and subsequent tube disassembly. ...