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Items where contributor is "Don, Charleen G."

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2019

Roel-Touris, Jorge and Don, Charleen G. and Vargas Honorato, Rodrigo and Rodrigues, João P. G. L. M. and Bonvin, Alexandre M. J. J.. (2019) Less is more: Coarse-grained integrative modeling of large biomolecular assemblies with HADDOCK. Journal of chemical theory and computation, 15 (11). pp. 6358-6367.

2018

Fischer, André and Don, Charleen G. and Smieško, Martin. (2018) Molecular Dynamics Simulations Reveal Structural Differences among Allelic Variants of Membrane-Anchored Cytochrome P450 2D6. Journal of chemical information and modeling, 58 (9). pp. 1962-1975.

Don, Charleen G. and Smieško, Martin. (2018) Out-compute drug side effects: Focus on cytochrome P450 2D6 modeling. Wiley interdisciplinary reviews; computational molecular science, 8 (5). e1366.

Don, Charleen G. and Smieško, Martin. (2018) Microsecond MD simulations of human CYP2D6 wild-type and five allelic variants reveal mechanistic insights on the function. PloS one, 13 (8). e0202534.