Publikationen in Zusammenarbeit mit Forschern von Universidad Central de Las Villas (33)

2022

  1. Emerging Computational Approaches for Antimicrobial Peptide Discovery

    Antibiotics, Vol. 11, Núm. 7

  2. Plant–frugivore interactions across the Caribbean islands: Modularity, invader complexes and the importance of generalist species

    Diversity and Distributions, Vol. 28, Núm. 11, pp. 2361-2374

2018

  1. Relationship between herkogamy, incompatibility and reciprocity with pollen–ovule ratios in Melochia (Malvaceae)

    Plant Biosystems, Vol. 152, Núm. 1, pp. 80-89

2016

  1. Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2A Adenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors

    Current Pharmaceutical Design, Vol. 22, Núm. 21, pp. 3082-3096

  2. Topological sub-structural molecular design (TOPS-MODE): a useful tool to explore key fragments of human A3adenosine receptor ligands

    Molecular Diversity, Vol. 20, Núm. 1, pp. 55-76

2014

  1. Strength through unity: spatial affinity between morphs improves fitness in incompatible heterostylous Melochia (Malvaceae) species

    Journal of Plant Research, Vol. 128, Núm. 1, pp. 139-146

  2. Unravelling the stylar polymorphism in Melochia (Malvaceae): Reciprocity and ancillary characters

    Botanical Journal of the Linnean Society, Vol. 176, Núm. 2, pp. 147-158

2013

  1. Classifier ensemble based on feature selection and diversity measures for predicting the affinity of A2B adenosine receptor antagonists

    Journal of Chemical Information and Modeling, Vol. 53, Núm. 12, pp. 3140-3155

2010

  1. Multidimensional drug design: Simultaneous analysis of binding and relative efficacy profiles of n6-substituted-4′-thioadenosines A 3 adenosine receptor agonists

    Chemical Biology and Drug Design, Vol. 75, Núm. 6, pp. 607-618

2008

  1. Cytotoxicity of selected imidazolium-derived ionic liquids in the human Caco-2 cell line. Sub-structural toxicological interpretation through a QSAR study

    Green Chemistry, Vol. 10, Núm. 5, pp. 508-51

  2. New QSAR combined strategy for the design of A1 adenosine receptor agonists

    Bioorganic and Medicinal Chemistry, Vol. 16, Núm. 4, pp. 1658-1675

  3. Radial Distribution Function descriptors for predicting affinity for vitamin D receptor

    European Journal of Medicinal Chemistry, Vol. 43, Núm. 7, pp. 1360-1365

  4. Search for new antagonist ligands for adenosine receptors from QSAR point of view. How close are we?

    Medicinal Research Reviews, Vol. 28, Núm. 3, pp. 329-371

2007

  1. 2D-autocorrelation descriptors for predicting cytotoxicity of naphthoquinone ester derivatives against oral human epidermoid carcinoma

    Bioorganic and Medicinal Chemistry, Vol. 15, Núm. 10, pp. 3565-3571

  2. ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds

    European Journal of Medicinal Chemistry, Vol. 42, Núm. 5, pp. 580-585

  3. QSAR studies using radial distribution function for predicting A 1 adenosine receptors agonists

    Bulletin of Mathematical Biology, Vol. 69, Núm. 1, pp. 347-359

  4. Quantitative structure-activity relationship studies of HIV-1 integrase inhibition. 1. GETAWAY descriptors

    European Journal of Medicinal Chemistry, Vol. 42, Núm. 1, pp. 64-70

2006

  1. In silico studies using Radial Distribution Function approach for predicting affinity of 1α,25-dihydroxyvitamin D3 analogues for Vitamin D receptor

    Steroids, Vol. 71, Núm. 6, pp. 510-527

  2. QSAR studies about cytotoxicity of benzophenazines with dual inhibition toward both topoisomerases I and II: 3D-MoRSE descriptors and statistical considerations about variable selection

    Bioorganic and Medicinal Chemistry, Vol. 14, Núm. 21, pp. 7347-7358

  3. Quantitative structure activity relationships as useful tools for the design of new adenosine receptor ligands. 1. Agonist

    Current Medicinal Chemistry, Vol. 13, Núm. 19, pp. 2253-2266