Biblio
Found 7 results
Filters: Author is Huang, D. and Keyword is Molecular Dynamics Simulation [Clear All Filters]
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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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2014. Structured water molecules in the binding site of bromodomains can be displaced by cosolvent. ChemMedChem. 9(3):573-579.
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2013. 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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2012. 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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2011. The free energy landscape of small molecule unbinding. PLoS Computational Biology. 7(2):e1002002.
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2011. Small molecule binding to proteins: Affinity and binding/unbinding dynamics from atomistic simulations. ChemMedChem. 6(9):1578-80.