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Multitargeted molecular docking and dynamics simulation studies of 1,3,4-thiadiazoles synthesised from (R)-carvone against specific tumour protein markers: An In-silico study of two diastereoisomers.

Mourad FawziAbdoullah BimoussaYassine LaamariMuhammed Tilahun MuhammedAli IrfanAli OubellaManal A. AlossaimiYassine RiadiAziz AuhmaniMoulay Youssef Ait Itto
Published in: Comput. Biol. Chem. (2024)
Keyphrases
  • simulation study
  • drug discovery
  • three dimensional
  • monte carlo
  • search space
  • protein sequences
  • molecular dynamics
  • molecular structures