Md Saidur Rahman

Mutation-Aware Machine Learning Framework for Predicting Binding Affinity of Nirmatrelvir Analogs Targeting Coronavirus Main Proteases

The emergence of resistance-associated mutations in coronavirus main protease (Mpro) poses a significant challenge to the development of broad-spectrum antiviral therapeutics. In this study, we improved and accelerated a mutation-aware machine learning (ML) framework to predict the binding score of Nirmatrelvir analogu...