Computational design of conformation-biasing mutations to alter protein functions.

Abstract excerpt

Conformational biasing (CB) is a rapid and streamlined computational method that uses contrastive scoring by inverse folding models to predict protein variants biased toward desired conformational states. We successfully validated CB across seven diverse datasets, identifying variants of K-Ras, the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein, the β2 adrenergic receptor, and Src...

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