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10.1142/S0192415X16500531 13 Chen D.-QD.-Q.WuJ.LiP

PMID: 36007963

The total energy of molecular system using OPLS-AA force field is a sum of the non-bonded energy E nb , bond stretching and angle bending terms E bond and E angle , and the torsional energy E torsion

The first round of optimization to maximize protein and minimize the GI yielded the blend 90:5:5 (amaranth:acha:pearl millet), while a second round of optimization to set the protein and GI between 1618% and 4045 respectively yielded a blend 47.98:26.68:25.34 (amaranth:acha:pearl millet)