Convergence of Atomic Charges with the Size of the Enzymatic Environment

Danny E. P. Vanpoucke, Julianna Oláh, Frank De Proft, Veronique Van Speybroeck, Goedele Roos. Convergence of Atomic Charges with the Size of the Enzymatic Environment. Journal of Chemical Information and Computer Sciences, 55(3):564-571, 2015. [doi]

Authors

Danny E. P. Vanpoucke

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Julianna Oláh

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Frank De Proft

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Veronique Van Speybroeck

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Goedele Roos

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