Understanding and Controlling Food Protein Structure and Function in Foods: Perspectives from Experiments and Computer Simulations

FLB da Silva and P Carloni and D Cheung and G Cottone and S Donnini and EA Foegeding and M Gulzar and JC Jacquier and V Lobaskin and D MacKernan and ZMH Naveh and R Radhakrishnan and EE Santiso, ANNUAL REVIEW OF FOOD SCIENCE AND TECHNOLOGY, VOL 11, 11, 365-387 (2020).

DOI: 10.1146/annurev-food-032519-051640

The structure and interactions of proteins play a critical role in determining the quality attributes of many foods, beverages, and pharmaceutical products. Incorporating a multiscale understanding of the structure-function relationships of proteins can provide greater insight into, and control of, the relevant processes at play. Combining data from experimental measurements, human sensory panels, and computer simulations through machine learning allows the construction of statistical models relating nanoscale properties of proteins to the physicochemical properties, physiological outcomes, and tastes of foods. This review highlights several examples of advanced computer simulations at molecular, mesoscale, and multiscale levels that shed light on the mechanisms at play in foods, thereby facilitating their control. It includes a practical simulation toolbox for those new to in silico modeling.

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