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Jonathan Y. Mane, Valentyna Semenchenko, Rolando Perez-Pineiro, Philip Winter, David Wishart and Jack A. Tuszynski Experimental and Computational Study of the Interaction of Novel Colchicinoids with a Recombinant Human αI/βI-Tubulin Heterodimer Chemical Biology & Drug Design 82

Version of Record online: 21 JUN 2013 | DOI: 10.1111/cbdd.12132

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The binding free energies on human tubulin of selected colchicine and thiocolchicine compounds were determined. Two methods were used for the determination of binding free energies: one is based on theoretical prediction simulating the dissociation of the compound from tubulin using a series of molecular dynamics simulations, and the other method involves a series of experiments that measured the affinity of the compound on a synthetically expressed and purified tubulin protein using a spectrofluorometric technique.

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