ICMOL
Institut d' investigació
Universidad de Cartagena
Cartagena de Indias, ColombiaPublicaciones en colaboración con investigadores/as de Universidad de Cartagena (7)
2017
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Dry selection and wet evaluation for the rational discovery of new anthelmintics
Molecular Physics, Vol. 115, Núm. 17-18, pp. 2300-2313
2015
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Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening
European Journal of Medicinal Chemistry, Vol. 96, pp. 238-244
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Extending graph (discrete) derivative descriptors to N-tuple atom-relations
Match, Vol. 73, Núm. 2, pp. 397-420
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Overlap and diversity in antimicrobial peptide databases: Compiling a non-redundant set of sequences
Bioinformatics, Vol. 31, Núm. 15, pp. 2553-2559
2014
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Analysis of proteasome inhibition prediction using atom-based quadratic indices enhanced by machine learning classification techniques
Letters in Drug Design and Discovery, Vol. 11, Núm. 6, pp. 705-711
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Discrete derivatives for atom-pairs as a novel graph-theoretical invariant for generating new molecular descriptors: Orthogonality, interpretation and QSARs/QSPRs on benchmark databases
Molecular Informatics, Vol. 33, Núm. 5, pp. 343-368
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Tyrosinase enzyme: 1. An overview on a pharmacological target
Current Topics in Medicinal Chemistry, Vol. 14, Núm. 12, pp. 1494-1501