1 research outputs found
Application of Molecular Simulation Methods in Food Science: Status and Prospects
Molecular
simulation methods, such as molecular docking, molecular
dynamic (MD) simulation, and quantum chemical (QC) calculation, have
become popular as characterization and/or virtual screening tools
because they can visually display interaction details that in vitro experiments can not capture and quickly screen
bioactive compounds from large databases with millions of molecules.
Currently, interdisciplinary research has expanded molecular simulation
technology from computer aided drug design (CADD) to food science.
More food scientists are supporting their hypotheses/results with
this technology. To understand better the use of molecular simulation
methods, it is necessary to systematically summarize the latest applications
and usage trends of molecular simulation methods in the research field
of food science. However, this type of review article is rare. To
bridge this gap, we have comprehensively summarized the principle,
combination usage, and application of molecular simulation methods
in food science. We also analyzed the limitations and future trends
and offered valuable strategies with the latest technologies to help
food scientists use molecular simulation methods