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. 2019 Aug 28;5(8):1312-1314.
doi: 10.1021/acscentsci.9b00791. Epub 2019 Aug 15.

Predicting Resistance Is (Not) Futile

Alice E Brankin  1 , Philip W Fowler  1
Affiliations

Predicting Resistance Is (Not) Futile

Alice E Brankin et al. ACS Cent Sci. .
No abstract available

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Figures

Figure 1
Figure 1
(A) Tyrosine kinase inhibitors (TKI) bind the human Abl kinase. (B) Resistance to TKIs arise from missense mutations in Abl. (C) Effect of a mutation can be predicted by calculating how it affects the binding free energy of the TKI. (D) There are a range of methods to calculate how a protein mutation alters the binding free energy of a drug; here, we categorize them based on whether they are physics-based or data-driven.
See this image and copyright information in PMC

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