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RESEARCH PRODUCT
Understanding and Controlling Food Protein Structure and Function in Foods: Perspectives from Experiments and Computer Simulations
Donal MackernanDavid L. CheungVladimir LobaskinZeynab Mohammad Hosseini NavehSerena DonniniE. Allen FoegedingMuhammad GulzarPaolo CarloniPaolo CarloniFernando Luís Barroso Da SilvaRavi RadhakrishnanGrazia CottoneJean-christophe JacquierErik E. Santisosubject
MultiscaleInterface interactionsComputer scienceIn silicorare-event method02 engineering and technologyMolecular dynamics01 natural sciencesconstant-pH simulationArticleStructure-Activity RelationshipGPCRruokafoods0103 physical sciencesComputer Simulationcomputer simulationssimulointiravintoaineetProtein-sugar interactionsConstant pH simulationfood proteintilastolliset mallit2. Zero hungerMolecular interactionsCoarse graining010304 chemical physicsQSARFood proteinmolecular dynamicRare-event methodsexperiments021001 nanoscience & nanotechnologyToolboxfysikaaliset ominaisuudetkemialliset ominaisuudetStructure and functionsimulation food carbohydrates pHFoodcoarse grainingmolecular interactionEmulsionsDietary ProteinsproteiinitBiochemical engineeringmaku (aineen ominaisuudet)0210 nano-technologyfysiologiset vaikutuksetFood Sciencedescription
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.
year | journal | country | edition | language |
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2020-01-01 | Annual Review of Food Science and Technology |