QUÍMICA FÍSICA
DEPARTAMENTO
ALEJANDRO
RODRÍGUEZ MARTÍNEZ
Investigador en el periodo 2022-2023
Publicaciones en las que colabora con ALEJANDRO RODRÍGUEZ MARTÍNEZ (8)
2024
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ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery
Journal of Chemical Information and Modeling, Vol. 64, Núm. 5, pp. 1605-1614
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Enhancing MD simulations: ASGARD’s automated analysis for GROMACS
Journal of Biomolecular Structure and Dynamics
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Monastrol suppresses invasion and metastasis in human colorectal cancer cells by targeting fascin independent of kinesin-Eg5 pathway
Biomedicine and Pharmacotherapy, Vol. 175
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Phage display identification of high-affinity ligands for human TSG101-UEV: A structural and thermodynamic study of PTAP recognition
International Journal of Biological Macromolecules, Vol. 274
2023
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Antimalarial phytochemicals as potential inhibitors of SARS-CoV-2 guanine N7-methyltransferase (nsp 14): an integrated computational approach
Journal of Biomolecular Structure and Dynamics, Vol. 41, Núm. 11, pp. 5022-5044
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Piperazine-derived small molecules as potential Flaviviridae NS3 protease inhibitors. In vitro antiviral activity evaluation against Zika and Dengue viruses
Bioorganic Chemistry, Vol. 133
2022
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African derived phytocompounds may interfere with SARS-CoV-2 RNA capping machinery via inhibition of 2′-O-ribose methyltransferase: An in silico perspective
Journal of Molecular Structure, Vol. 1262
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Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies
Nutrients, Vol. 14, Núm. 12