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Molecular Dynamics Simulations to Investigate the Behavior of Flavor Molecules


Steve Neuhausen*

Scotch whisky is a renowned alcoholic beverage known for its complex flavor profile, which arises from the interaction of various volatile flavor molecules with the sensory receptors. In this study, we employ molecular dynamics simulations to investigate the behavior of flavor molecules in Scotch whisky at the molecular level. By simulating the dynamic interactions between these molecules and their environment, we aim to gain insights into the factors that contribute to the aroma and taste of Scotch whisky. This knowledge can inform the development of improved production processes and aid in the design of flavor-enhancing strategies. Scotch whisky is a complex mixture of volatile compounds that contribute to its distinctive aroma and flavor. These compounds include aldehydes, esters, ketones, phenols, and other flavor-active molecules.

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