Ključne besede: COVID-19, SARS-CoV-2, free-energy calculations, in silico drug design, virtual screening, inhibitors, 3C-like protease, M$^{pro}$, 3CL$^{pro}$, high-throughput, chemical library design, machine learning, compound prioritisationCelotno besedilo (datoteka, 6,56 MB) Gradivo ima več datotek! Več...
Ključne besede: virtual screening, decoys, chemical library, computer-aided drug design, CCR7, GPCRCelotno besedilo (datoteka, 2,30 MB) Gradivo ima več datotek! Več...