Guo‐Wei Wei

This paper introduces TopFit, a framework that combines persistent spectral theory and sequence embeddings to predict protein fitness from mutations, validated on 34 benchmark datasets.

Structure-based drug repositioning using a homology model of the 2019-nCoV 3CL protease screens 1465 FDA-approved DrugBank compounds to identify candidate therapeutics against the virus.

The 2019-nCoV protease shares 96.1% sequence identity and near-identical inhibitor binding sites with SARS-CoV, so a generative machine-learning model proposes candidate inhibitors; existing HIV drugs are also assessed.