Biblio
Found 9 results
Filters: Author is Huang, D. and Keyword is Protein Binding [Clear All Filters]
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. 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. 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. 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. Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model. Journal of Medicinal Chemistry. 51(5):1179-1188.
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2008. Efficient evaluation of binding free energy using continuum electrostatics solvation. Journal of Medicinal Chemistry. 47(23):5791-5797.
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2004.