Article

Resistor: an algorithm for predicting resistance mutations using Pareto optimization over multistate protein design and mutational signatures

2022-01-20

Abstract excerpt

Resistance to pharmacological treatments is a major public health challenge. Here we report R esistor —a novel structure- and sequence-based algorithm for drug design providing prospective prediction of resistance mutations. R esistor computes the Pareto frontier of four resistance-causing criteria: the change in binding affinity (Δ K a ) of the (1) drug and (2) endogenous ligand upon a protein’s mutation; (3)...

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Literature Corpus work: 5da8c3c1-8696-5c38-8c8e-0bca6f4dfdcd
DOI: 10.1101/2022.01.18.476733

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