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Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects.

, , , , , and . J. Chem. Inf. Model., 53 (9): 2402-2408 (2013)

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A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity., , , , , , , , , and 1 other author(s). J. Comput. Aided Mol. Des., 37 (2): 75-90 (February 2023)Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning., , , , , , , , and . J. Comput. Aided Mol. Des., 30 (4): 305-321 (2016)Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study., , , , , , and . J. Chem. Inf. Model., 61 (8): 3758-3770 (2021)Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects., , , , , and . J. Chem. Inf. Model., 53 (9): 2402-2408 (2013)Application of target repositioning and in silico screening to exploit fatty acid binding proteins (FABPs) from Echinococcus multilocularis as possible drug targets., , , , , , , and . J. Comput. Aided Mol. Des., 34 (12): 1275-1288 (2020)iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules., , , , and . J. Chem. Inf. Model., 62 (12): 2987-2998 (2022)Tetracycline Derivatives Inhibit Plasmodial Cysteine Protease Falcipain-2 through Binding to a Distal Allosteric Site., , , , , and . J. Chem. Inf. Model., 62 (1): 159-175 (2022)