Ala M. Shaqra

This paper introduces ROBUST, a machine learning framework that identifies energetic determinants of inhibitor potency against evolving targets, demonstrating its utility in predicting and optimizing inhibitors with improved resistance profiles.

This study investigates how the two active sites of SARS-CoV-2 Mpro communicate and cooperate in catalysis using enzymatic assays, crystal structures, and engineered mutations.

This study investigates drug resistance mechanisms in SARS-CoV-2 Mpro caused by E166 mutations and their compensation by L50F, revealing structural and functional impacts on inhibitor binding and catalytic efficiency.

This study designs and tests optimized oligonucleotide inhibitors for APOBEC3 enzymes, showing improved potency and nuclease stability compared to previous inhibitors.

This study identifies hyperactive mutations in SARS-CoV-2 Mpro that increase enzyme activity and contribute to drug resistance, finding them more prevalent than binding-reducing mutations.

The paper identifies resistance mutations in SARS-CoV-2 main protease against nirmatrelvir and ensitrelvir using yeast screens, finding cross-resistant mutations and reduced enzyme function.