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By Lathrop R. H., Rogers Jr R. G., Smith T. F.

A rigorous Bayesian research is gifted that unifies protein sequence-structure alignment and popularity. Given a series, particular formulae are derived to pick (1) its globally so much possible middle constitution from a constitution library; (2) its globally so much possible alignment to a given middle constitution; (3) its such a lot possible joint center constitution and alignment selected globally around the whole library; and (4) its such a lot possible person segments, secondary constitution, and super-secondary buildings around the complete library. The computations concerned are NP-hard within the normal case (3D-3D). speedy distinct recursions for the constrained series singleton-only (1D-3D) case are given. Conclusions comprise: (a) the main possible joint center constitution and alignment isn't inevitably the main possible alignment of the main possible center constitution, yet relatively maximizes the fabricated from center and alignment percentages; (b) use of a sequence-independent linear or affine hole penalty can result within the highest-probability threading now not having the bottom ranking; (c) making a choice on the main possible center constitution from the library (core constitution choice or fold reputation purely) comprises evaluating percentages summed over all attainable alignments of the series to the middle, and never evaluating person optimum (or near-optimal) sequence-structure alignments; and (d) assuming uninformative priors, center constitution choice is comparable to evaluating the ratio of 2 worldwide potential.

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A Bayes-optimal sequence-structure theory that unifies protein sequence-structure recognition and alignment by Lathrop R. H., Rogers Jr R. G., Smith T. F.


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