Interaction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT.
Ysaias José AlvaradoYosmari OlivarezCarla LossadaJoan Vera-VillalobosJosé Luis PazEddy VeraMarcos LoroñoAlejandro VivasFernando Javier TorresLaura N. JeffreysMaría Laura Hurtado-LeónLenin González-PazPublished in: Comput. Biol. Chem. (2022)