Draw a dipeptide with sequence: D-D. Make sure your acids are deprotonated and your bases are...
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Draw a dipeptide with sequence: D-D. Make sure your acids are deprotonated and your bases are protonated. After energy minimization (OPLS-AA force field) calculate the partial charges of the atoms using MNDO semi empirical method. Label the atoms by partial charge. Make a picture and insert it in this report. 0.808 0819 -0.017-0.023 -0.808 0.017114 0029 0.23078 0.220 0.306 -0.789 0519 0.562 -0.589 0726 -0.789 -0.182 0.10521 -0.065 -0.021 -0.816 6.885 -0.816 0.657 0.546 8.347 0.018 -8.885 0.181 0233535 0.609 0.312 0.359 10.057 D6 0.203 0.352 -0.602 10.00030 098044 -0.434 -0.007 -0.603 0.347 -0.678 Discuss. Do you see a difference, why do you see these differences? Are there differences in values between the amino acids using different methods? How could this be? Draw a dipeptide with sequence: D-D. Make sure your acids are deprotonated and your bases are protonated. After energy minimization (OPLS-AA force field) calculate the partial charges of the atoms using MNDO semi empirical method. Label the atoms by partial charge. Make a picture and insert it in this report. 0.808 0819 -0.017-0.023 -0.808 0.017114 0029 0.23078 0.220 0.306 -0.789 0519 0.562 -0.589 0726 -0.789 -0.182 0.10521 -0.065 -0.021 -0.816 6.885 -0.816 0.657 0.546 8.347 0.018 -8.885 0.181 0233535 0.609 0.312 0.359 10.057 D6 0.203 0.352 -0.602 10.00030 098044 -0.434 -0.007 -0.603 0.347 -0.678 Discuss. Do you see a difference, why do you see these differences? Are there differences in values between the amino acids using different methods? How could this be?
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