Now showing items 1-2 of 2

  • Complete maps of molecular-loop conformational spaces 

    Porta Pleite, Josep Maria; Ros Giralt, Lluís; Thomas, Federico; Corcho Sánchez, Francisco José; Cantó Silva, Josep; Pérez, Juan J. (John Wiley & Sons, Inc., 2007)
    Article
    Open Access
    This paper presents a numerical method to compute all possible conformations of distance-constrained molecular loops, i.e., loops where some interatomic distances are held fixed, while others can vary. The method is general ...
  • Computational investigation of the conformational profile of the four stereomers of Ac-L-Pro-c(3)Phe-NHMe (c(3)Phe= 2,3-methanophenylalanine) 

    Rodríguez García, Alejandro; Cantó Silva, Josep; Corcho Sánchez, Francisco José; Pérez González, Juan Jesús (2009)
    Article
    Restricted access - publisher's policy
    The present report regards a computational study aimed at assessing the conformational profile of the four stereoisomers of the peptide Ace-Pro-c3Phe-NMe, previously reported to exhibit b-turn structures in dichloromethane ...