BiophysicsThe Journal of Physical Chemistry BPeer-reviewed
Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding
Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi…·John D. Chodera
The paper evaluates structure-based methods to predict how kinase mutations affect inhibitor binding, finding they accurately classify mutations as resistant or sensitizing.
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