Publications in collaboration with researchers from European Molecular Biology Laboratory (9)

2014

  1. Molecular recognition of epothilones by microtubules and tubulin dimers revealed by biochemical and NMR approaches

    ACS Chemical Biology, Vol. 9, Núm. 4, pp. 1033-1043

2003

  1. Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations

    Journal of Computer-Aided Molecular Design, Vol. 17, Núm. 5-6, pp. 299-311

2001

  1. Comparative binding energy analysis of the substrate specificity of haloalkane dehalogenase from Xanthobacter autotrophicus GJ10

    Biochemistry, Vol. 40, Núm. 30, pp. 8905-8917

1998

  1. Comparative Binding Energy Analysis

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

1997

  1. Reliability of comparative molecular field analysis models: Effects of data scaling and variable selection using a set of human synovial fluid phospholipase A2 inhibitors

    Journal of Medicinal Chemistry, Vol. 40, Núm. 7, pp. 1136-1148

1995

  1. Prediction of Drug Binding Affinities by Comparative Binding Energy Analysis

    Journal of Medicinal Chemistry, Vol. 38, Núm. 14, pp. 2681-2691

1994

  1. Molecular modeling of the interaction of polyproline-based peptides with the abl-sh3 domain: Rational modification of the interaction

    Protein Engineering, Design and Selection, Vol. 7, Núm. 12, pp. 1455-1462

1993

  1. A Molecular Dynamics Study of the Bis-Intercalation Complexes of Echinomycin with d(ACGT)2 and d(TCGA)2: Rationale for Sequence-Specific Hoogsteen Base Pairing

    Journal of Medicinal Chemistry, Vol. 36, Núm. 11, pp. 1548-1561

  2. Molecular Model of the Interaction of Bee Venom Phospholipase A2 with Manoalide

    Journal of Medicinal Chemistry, Vol. 36, Núm. 13, pp. 1866-1879