Automated identification of small drug molecules for Hepatitis C virus through a novel programmatic tool and extensive Molecular Dynamics studies of select drug candidates
Rafał Madaj, Akhil Sanker, Ben Geoffrey A S, Host Antony David, Shubham Verma, Judith Gracia, Ayodele Ifeoluwa Faleti, Abdulbasit Haliru Yakubu
The paper introduces a programmatic tool that automates drug discovery for Hepatitis C virus using machine learning and molecular dynamics simulations to identify potential drug candidates.
bioRxiv · Jul 7, 2020 · PreprintBioinformatics