Lathrop R. H., Rogers Jr R. G., Smith T. F.'s A Bayes-optimal sequence-structure theory that unifies PDF

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, specific formulae are derived to choose (1) its globally such a lot possible middle constitution from a constitution library; (2) its globally such a lot 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 so much possible person segments, secondary constitution, and super-secondary constructions around the complete library. The computations concerned are NP-hard within the normal case (3D-3D). quick designated recursions for the limited series singleton-only (1D-3D) case are given. Conclusions contain: (a) the main possible joint center constitution and alignment isn't unavoidably 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 may end up within the highest-probability threading no longer having the bottom rating; (c) identifying the main possible center constitution from the library (core constitution choice or fold popularity in simple terms) includes evaluating chances summed over all attainable alignments of the series to the center, and never evaluating person optimum (or near-optimal) sequence-structure alignments; and (d) assuming uninformative priors, middle constitution choice is resembling evaluating the ratio of 2 international ability.

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Extra info for A Bayes-optimal sequence-structure theory that unifies protein sequence-structure recognition and alignment

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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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