Publications for Ekonomiuk, D
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Ekonomiuk, Dariusz. Flaviviral protease flexibility analyzed by molecular dynamics and exploited to identify non-peptidic inhibitors by high-throughput docking. 2009, University of Zurich, Faculty of Science.
Ekonomiuk, D; Su, X-C; Ozawa, K; Bodenreider, C; Lim, S P; Yin, Z; Keller, T H; Beer, D; Patel, V; Otting, G; Caflisch, A; Huang, D (2009). Discovery of a non-peptidic inhibitor of west nile virus NS3 protease by high-throughput docking. PLoS Neglected Tropical Diseases, 3(1):e356.
Ekonomiuk, D; Caflisch, A (2009). Activation of the West Nile virus NS3 protease: molecular dynamics evidence for a conformational selection mechanism. Protein Science, 18(5):1003-1011.
Ekonomiuk, D; Su, X C; Ozawa, K; Bodenreider, C; Lim, S P; Otting, G; Huang, D; Caflisch, A (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.
Su, X C; Ozawa, K; Yagi, H; Lim, S P; Wen, D; Ekonomiuk, D; Huang, D; Keller, T H; Sonntag, S; Caflisch, A; Vasudevan, S G; Otting, G (2009). NMR study of complexes between low molecular mass inhibitors and the West Nile virus NS2B-NS3 protease. FEBS Journal, 276(15):4244-4255.