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Predicting free energy changes using structural ensembles

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Figure 1: Prediction of mutational free energy changes using ensembles of structures.
Figure 2: Effect of alanine mutations on TEM1-BLIP complex.


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We thank J. Schymkowitz for help with FoldX. A.B., C.M.B., B.L.G. and R.A.B. acknowledge support by the Deutsche Forschungsgemeinschaft (BO 2963/1-1, GR 2079/4-1, BIZ 4/1). Part of the work was supported by the Swiss National Center for Competence in Research in Structural Biology (R.A.B. and A.C.).

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Benedix, A., Becker, C., de Groot, B. et al. Predicting free energy changes using structural ensembles. Nat Methods 6, 3–4 (2009).

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