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: K$_V$1.3 channel, design of K$_V$1.3 inhibitors, mitochondrial K$_V$1.3, peptide inhibitors, small-molecule inhibitorsCelotno besedilo (datoteka, 6,21 MB) Gradivo ima več datotek! Več...
Ključne besede: O-GlcNAcylation, OGT, OGA, OGT inhibitors, posttranslational modifications, computational drug design, virtual screening, ester hydrolysis, metabolic stability.Celotno besedilo (datoteka, 20,68 MB)
Ključne besede: O-GlcNAcylation, OGT, OGA, OGT inhibitors, posttranslational, modifications, computational drug design, virtual screening, ester hydrolysis, metabolic stabilityCelotno besedilo (datoteka, 20,68 MB)