Summary
The conformational behaviour of the biologically active angiotensinogen (6–13) fragment has been investigated by computer simulations. A large sample of conformers has been generated using the Monte-Carlo procedure, then analysed using classification and partition methods. Seven families can describe the conformational distribution. About 40% of conformers are fully extended, 28% are folded at the C-terminal His6-Pro7-Phe8-His9 level and the others are folded at different levels. The study highlights the extreme flexibility of the angiotensinogen fragment.
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Benkoulouche, M., Cotrait, M. & Maigret, B. Computer simulation of the conformational behaviour of angiotensinogen (6–13) renin substrate. J Computer-Aided Mol Des 6, 79–91 (1992). https://doi.org/10.1007/BF00124388
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DOI: https://doi.org/10.1007/BF00124388