Mechanistic insights of polyphenolic compounds from rosemary bound to their protein targets obtained by molecular dynamics simulations and free-energy calculationsLešnik, Samo (Avtor) Jukič, Marko (Avtor) Bren, Urban (Avtor) rosemarycarnosic acidcarnosolrosmanolrosmarinic acidpolyphenolsmolecular dockingmolecular dynamics simulationslinear interaction energy calculationswater-mediated hydrogen-bondsHIV-1 proteaseK-RAS proteinfactor XMDPI20232024-04-22 09:17:56Znanstveno delo88418UDK: 577COBISS_ID: 137937411DOI: 10.3390/foods12020408ISSN pri članku: 2304-8158sl