Spectroscopic methods and in silico analyses using density functional theory to characterize and identify piperine alkaloid crystals isolated from pepper (Piper Nigrum L.).

Fabrine Silva AlvesJosé de Arimatéia Rodrigues Do RegoMarcondes Lima Da CostaLuiz Fernando Lobato Da SilvaRenato Araújo Da CostaJorddy Nevez CruzDavi Do Socorro Barros Brasil

Published in: Journal of biomolecular structure & dynamics (2019)

Communicated by Ramaswamy H. Sarma.

Keyphrases

density functional theory
molecular docking
molecular dynamics
molecular dynamics simulations
room temperature
essential oil