Abstract
We suggest an efficient procedure for calculating a family of structures satisfying NMR constraints and empirical bond-energy terms. The procedure is suitable for the calculation of large protein structures for which existing methods fail and is called sequential simulated annealing. We tested the procedure against conventional distance-geometry-simulated annealing on a system of moderate size and showed that the two are completely equivalent in reproducing the target structure. The sequential simulated annealing protocol haves at least 45% of the computation time to generate a family of structures
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