Publicaciones en colaboración con investigadores/as de Scripps Research Institute (5)

1998

  1. Comparative Binding Energy Analysis

    Perspectives in Drug Discovery and Design, Vol. 9--11, pp. 19-34

  2. Comparative binding energy analysis of HIV-1 protease inhibitors: Incorporation of solvent effects and validation as a powerful tool in receptor-based drug design

    Journal of Medicinal Chemistry, Vol. 41, Núm. 6, pp. 836-852

1997

  1. Assessment of solvation effects on calculated binding affinity differences: Trypsin inhibition by flavonoids as a model system for congeneric series

    Journal of Medicinal Chemistry, Vol. 40, Núm. 25, pp. 4136-4145

  2. Structure-affinity relationships for the binding of actinomycin D to DNA

    Journal of Computer-Aided Molecular Design, Vol. 11, Núm. 2, pp. 114-128

1996

  1. Molecular dynamics simulations of the bis-intercalated complexes of ditercalinium and Flexi-Di with the hexanucleotide d(GCGCGC)2: Theoretical analysis of the interaction and rationale for the sequence binding specificity

    Journal of Medicinal Chemistry, Vol. 39, Núm. 24, pp. 4810-4824