• Key building block of photoresponsive biomimetic systems 

      Revilla López, Guillermo; Laurent,, Adele D.; Perpete, Eric A.; Jacquemin, Denis; Torras Costa, Juan; Assfeld, Xavier; Alemán Llansó, Carlos (2011-02-10)
      Article
      Accés restringit per política de l'editorial
      The conformational, electrical, and optical intrinsic properties of L-phenylazophenylalanine (L-PAP), a nonproteinogenic photoresponsive amino acid used to modulate the binding affinity and activity of peptides and ...
    • Response of crown ether functionalized polythiophenes to alkaline ions 

      Zanuy Gomara, David; Preat, Julien; Perpete, Eric A.; Alemán Llansó, Carlos (2012-04-19)
      Article
      Accés obert
      The sensing response of 15-crown-5-ether functionalized polythiophene to Li+, Na+, and K+ has been investigated at the atomistic level using molecular dynamics simulations. The stability associated with all the identified ...
    • Stochastic simulation of structural properties of natively unfolded and denatured proteins 

      Curcó Cantarell, David; Michaux, Catherine; Roussel, Guillaume; Tinti, Emmanuel; Perpete, Eric A.; Alemán Llansó, Carlos (2012-09)
      Article
      Accés restringit per política de l'editorial
      A new simulation strategy based on a stochastic process has been developed and tested to study the structural properties of the unfolded state of proteins at the atomistic level. The procedure combines a generation ...