Mohammad Mehdi Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, William L. Jorgensen. Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease. Journal of Chemical Information and Computer Sciences, 63(16):5309-5318, August 2023. [doi]
Abstract is missing.