Prediction of protein side-chain conformation by packing optimization
作者： Christopher Lee , S. Subbiah
DOI: 10.1016/0022-2836(91)90550-P
关键词:
摘要: A method is provided for determining the packing conformation of amino acid side chains on a fixed peptide backbone. Using steric interaction potential, chain atoms are rotated about carbon-carbon bonds such that preferably settle in low energy conformation. Rotational moves continued according to simulated annealing procedure until set conformations identified. These represent structure actual peptide. The may be employed identify configuration mutant peptides.
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