Read e-book online 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 chain, particular formulae are derived to choose (1) its globally so much possible center constitution from a constitution library; (2) its globally such a lot possible alignment to a given center constitution; (3) its so much possible joint middle constitution and alignment selected globally around the complete library; and (4) its such a lot possible person segments, secondary constitution, and super-secondary constructions around the whole library. The computations concerned are NP-hard within the normal case (3D-3D). speedy certain recursions for the limited series singleton-only (1D-3D) case are given. Conclusions comprise: (a) the main possible joint center constitution and alignment isn't really unavoidably the main possible alignment of the main possible middle constitution, yet particularly maximizes the made of center and alignment chances; (b) use of a sequence-independent linear or affine hole penalty may end up within the highest-probability threading now not having the bottom rating; (c) deciding on the main possible center constitution from the library (core constitution choice or fold reputation merely) comprises evaluating possibilities 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 comparable to evaluating the ratio of 2 worldwide potential.

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Additional resources 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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