• 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
    Accés obert
    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
    Accés restringit per política de l'editorial
    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 ...
  • Computational Studies on the Structure and Dynamics of Bioactive Peptides. 

    Corcho Sánchez, Francisco José (Universitat Politècnica de Catalunya, 2004-01-26)
    Tesi
    Accés obert
    The present work focuses on the exploration of the conformational space of biological active peptides in different conditions with the aim of characterizing their conformational profile. Different techniques have been used ...
  • Computational study of the free energy landscape of the miniprotein CLN025 in explicit and implicit solvent 

    Rodríguez García, Alejandro; Mokoema, Pol; Corcho Sánchez, Francisco José; Bisetty, Krishna; Pérez González, Juan Jesús (2010-02-17)
    Article
    Accés restringit per política de l'editorial
    The prediction capabilities of atomistic simulations of peptides are hampered by different difficulties, including the reliability of force fields, the treatment of the solvent or the adequate sampling of the conformational ...
  • Randomized tree construction algorithm to explore energy landscapes 

    Jaillet, Leonard Georges; Corcho Sánchez, Francisco José; Pérez González, Juan Jesús; Cortés, Juan (2011-12)
    Article
    Accés obert
    We report in the present work a new method for exploring conformational energy landscapes. The method, called T-RRT, combines ideas from statistical physics and robot path planning algorithms. A search tree is constructed ...