Biblio
Found 14 results
Filters: Keyword is Drug Discovery [Clear All Filters]
Small-Molecule Inhibitors of the m7G-RNA Writer METTL1. ACS Bio & Med Chem Au. X
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2023. Iriomoteolides: novel chemical tools to study actin dynamics. Chemical Science. 9(15):3793-3802.
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2018. Protein structure-based drug design: From docking to molecular dynamics. Current Opinion in Structural Biology. 48:93-102.
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2018. Structural analysis of small molecule binding to the BAZ2A and BAZ2B bromodomains. ChemMedChem. 13(14):1479-1487.
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2018. Discovery of BAZ2A bromodomain ligands. European Journal of Medicinal Chemistry. 139:564-572.
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2017. Discovery of inhibitors of four bromodomains by fragment-anchored ligand docking. Journal of Chemical Information and Modeling. 57(10):2584-2597.
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2017. Reducing the flexibility of type II dehydroquinase for inhibition: A fragment-based approach and molecular dynamics study. ChemMedChem. 12(18):1512-1524.
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2017. Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain. Bioorganic & Medicinal Chemistry Letters. 27(11):2472-2478.
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2017. Derivatives of 3-amino-2-methylpyridine as BAZ2B bromodomain ligands: In silico discovery and in crystallo validation. Journal of Medicinal Chemistry. 59(21):9919-9927.
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2016. Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorganic & Medicinal Chemistry Letters. 24(11):2493-2496.
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2014. A novel allosteric mechanism in the cysteine peptidase cathepsin K discovered by computational methods. Nature Communications. 5:3287.
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2014. Data management system for distributed virtual screening. Journal of Chemical Information and Modeling. 49(1):145-152.
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2009. Discovery of plasmepsin inhibitors by fragment-based docking and consensus scoring. ChemMedChem. 4(8):1317-1326.
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2009. Structure-based tailoring of compound libraries for high-throughput screening: Discovery of novel EphB4 kinase inhibitors. Proteins: Structure, Function, and Bioinformatics. 73(1):11-18.
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