Anna G. Green

The structural context of mutations in proteins predicts their effect on antibiotic resistance

Abstract In Mycobacterium tuberculosis, a prevalent and deadly pathogen, resistance to antibiotics evolves primarily through non-synonymous mutations in proteins. Sequence-based analyses are currently used to understand the genetic basis of antibiotic resistance, either via genot...

ActiveFusion: Fused Representations Improve Active Learning for Molecular Property Prediction

Abstract Active learning provides an efficient strategy for molecular property prediction by iteratively prioritizing compounds for experimental evaluation. However, the effectiveness of active learning pipelines depends strongly on the choice of molecular representation, and sys...