Biblio
Found 33 results
Filters: Author is Huang, D. [Clear All Filters]
Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers. ACS Medicinal Chemistry Letters. 11(8):1573-1580.
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2020. .
2020. Selectively disrupting m6A-dependent protein-RNA interactions with fragments. ACS Chemical Biology. 15(3):618-625.
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2020. Small-molecule inhibitors of METTL3, the major human epitranscriptomic writer. ChemMedChem. 15(9):744-748.
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2020. Flexible binding of m6A reader protein YTHDC1 to its preferred RNA motif. Journal of Chemical Theory and Computation. 15(12):7004-7014.
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2019. Evolutionary conserved Tyr169 stabilizes the β2-α2 loop of the prion protein. Journal of the American Chemical Society. 137(8):2948-2957.
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2015. The roles of the conserved tyrosine in the β2-α2 loop of the prion protein. Prion. 9(6):412-419.
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2015. Structural analysis of the binding of type I, I1/2, and II inhibitors to eph tyrosine kinases. ACS Medicinal Chemistry Letters. 6(1):79-83.
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2015. Structure-based drug design identifies polythiophenes as antiprion compounds. Science Translational Medicine. 7(299):299ra123.
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2015. Structured water molecules in the binding site of bromodomains can be displaced by cosolvent. ChemMedChem. 9(3):573-579.
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2014. Does bromodomain flexibility influence histone recognition? FEBS Letters. 587(14):2158-2163.
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2013. Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallography. Journal of Medicinal Chemistry. 56(1):84-96.
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2013. Discovery of tyrosine kinase inhibitors by docking into an inactive kinase conformation generated by molecular dynamics. ChemMedChem. 7(11):1983-1990.
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2012. How does Darunavir prevent HIV-1 protease dimerization? Journal of Chemical Theory and Computation. 8(5):1786-1794.
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2012. The free energy landscape of small molecule unbinding. PLoS Computational Biology. 7(2):e1002002.
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2011. Hydrogen bonding penalty upon ligand binding. PLoS One. 6(6):e19923.
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2011. Small molecule binding to proteins: Affinity and binding/unbinding dynamics from atomistic simulations. ChemMedChem. 6(9):1578-80.
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2011. Kinase selectivity potential for inhibitors targeting the ATP binding site: A network analysis. Bioinformatics. 26(2):198-204.
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2010. Library screening by fragment-based docking. Journal of Molecular Recognition. 23(2):183-193.
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2010. PARP1 ADP-ribosylates lysine residues of the core histone tails. Nucleic Acids Research. 38(19):6350-6362.
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2010. Quantum mechanical methods for drug design. Current Topics in Medicinal Chemistry. 10(1):33-45.
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2010. Discovery of a non-peptidic inhibitor of west nile virus NS3 protease by high-throughput docking. PLoS Neglected Tropical Diseases. 3(1):e356.
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2009. Flaviviral protease inhibitors identified by fragment-based library docking into a structure generated by molecular dynamics. Journal of Medicinal Chemistry. 52(15):4860-4868.
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2009. A fluorescence quenching assay to discriminate between specific and nonspecific inhibitors of dengue virus protease. Analytical Biochemistry. 395(2):195-204.
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2009. NMR study of complexes between low molecular mass inhibitors and the West Nile virus NS2B-NS3 protease. FEBS Journal. 276(15):4244-4255.
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2009.