Conformational properties of the chemotherapeutic drug analogue Epothilone A: how to model a flexible protein ligand using scarcely available experimental data

Dolenc J, van Gunsteren WF, Prota AE, Steinmetz MO & Missimer JH
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Dolenc, J., van Gunsteren, W. F., Prota, A. E., Steinmetz, M. O., & Missimer, J. H. (2019). Conformational properties of the chemotherapeutic drug analogue Epothilone A: how to model a flexible protein ligand using scarcely available experimental data. Journal of Chemical Information and Modeling, 59(5), 2218-2230. https://doi.org/10.1021/acs.jcim.9b00171