Article
Resistor: An algorithm for predicting resistance mutations via Pareto optimization over multistate protein design and mutational signatures.
Cell systems - 19 Oct 2022
Guerin Nathan, Feichtner Andreas, Stefan Eduard, Kaserer Teresa, Donald Bruce R
Abstract excerpt
Resistance to pharmacological treatments is a major public health challenge. Here, we introduce Resistor-a structure- and sequence-based algorithm that prospectively predicts resistance mutations for drug design. Resistor computes the Pareto frontier of four resistance-causing criteria: the change in binding affinity (ΔKa) of the (1) drug and (2) endogenous ligand upon a protein's mutation; (3) the probability a...
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