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Proteins are one of the macronutrients present in food that plays an important role in determining the matrix of the processed foods such as gel networks, foams and interconnected adsorbed layer in case of emulsification. During processing, proteins are subjected to stress external stresses including thermal, mechanical, chemical and electromagnetic, which influences their functional properties by changing their secondary and tertiary structures. Studying these changes in the protein structures during processing is difficult by using standard methods such as UV spectroscopy. The use of molecular modeling technique can help overcome this issue and aid in visualization of conformational changes in protein secondary structure under various external processing stresses. The application of molecular modeling has been used to study various food proteins including Ara h 6 peanut allergen, gliadin (gluten), soybean hydrophobic protein and Soybean trypsin inhibitor enzyme. In these studies changes in protein conformation were measured using Root Mean Square Deviation (RMSD), Solvent Accessible Surface Area (SASA) and Radius of Gyration (Rg), simulation results were further verified using Fourier Transform infrared spectroscopy. The Molecular Dynamics (MD) simulation can provide necessary insight into the protein dynamics that will help in designing novel processing techniques or improving current processing methods. The knowledge generated can also be used to engineer proteins which can express desired physicochemical properties through modifications in processing techniques.
protein structure, molecular modeling, MD simulations, secondary structures
. 2016. Application of molecular modeling in food proteins. CSBE/SCGAB 2016 Annual Conference, Halifax, 3-6 July 2016.
CSBE/SCGAB 2016 Annual Conference, Halifax, 3-6 July 2016.
Session 1C: Information Technologies and Bio-instrumentation
Canadian Society for Bioengineering