20.500.12556/DKUM-88418 Mechanistic insights of polyphenolic compounds from rosemary bound to their protein targets obtained by molecular dynamics simulations and free-energy calculations rosemary carnosic acid carnosol rosmanol rosmarinic acid polyphenols molecular docking molecular dynamics simulations linear interaction energy calculations water-mediated hydrogen-bonds HIV-1 protease K-RAS protein factor X rožmarin linearna interakcija energije proteaza polifenoli true false true MDPI Angleški jezik Slovenski jezik https://www.mdpi.com/journal/foods Znanstveno delo 2024-04-22 09:17:56 2024-04-22 09:17:57 2024-12-04 12:15:57 0000-00-00 00:00:00 2023 0 0 Str. 1-20 št. 2, št. članka 408 Letn. 12 2023 0000-00-00 Zaloznikova Objavljeno NiDoloceno 2022-12-05 2023-01-12 2023-01-14 577 137937411 10.3390/foods12020408 2304-8158 foods-12-00408.pdf foods-12-00408.pdf 1 CBD6804ED793490DF9346A1308D429E7 c2f9e56c25085a98d19093e41957b2337d3d52f701cbd8117d6b34048376aa87 2b744500-0079-11ef-a521-00155d000105 https://dk.um.si/Dokument.php?lang=slv&id=178815 https://www.mdpi.com/2304-8158/12/2/408 0 35fa69f5-0079-11ef-a521-00155d000105 https://dk.um.si/Dokument.php?lang=slv&id=178816 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0