• Invitation for a Perspective/Review Article for New Journal of Chemistry “Application of Site-Identification by Ligand Competitive Saturation in Computer-Aided Drug Design”

    Published On: December 8th, 2021
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  • Insights into Glucose-6-phosphate Allosteric Activation of β-Glucosidase A

    Published On: April 13th, 2021
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  • AChE Inhibition: Profiling the Tox21 Chemical Collection

    In vitro and molecular docking of environmental chemicals from the Tox21 Chemical Collection to probe AChE inhibition, a biomarker for possible drug safety/toxicity implications. Full text: https://doi.org/10.1289/EHP6993

    Published On: April 13th, 2021
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  • Small molecules inhibitors of the heterogeneous ribonuclear protein A18 (hnRNP A18): a regulator of protein translation and an immune checkpoint

    Published On: January 8th, 2021
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  • Assessing hERG1 Blockade from Bayesian Machine-Learning-Optimized Site Identification by Ligand Competitive Saturation Simulations

    Published On: November 23rd, 2020
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