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1998

A Surface Measure for Probabilistic Structural Computations

9 years 21 days ago
A Surface Measure for Probabilistic Structural Computations
Computingthree-dimensional structures from sparse experimentalconstraints requires methodsfor combining heterogeneoussourcesof information,such as distances, angles, andmeasuresof total volume,shape, andsurface. Forsometypes of information,such as distances between atoms, numerousmethodsare available for computing structuresthat satisfy the providedconstraints. It is more difficult, however,to use informationaboutthe degreeto whichan atomis on the surface or buried as a useful constraint duringstructure computations.Surfacemeasures havebeenused as accept/reject criteria for previously computedstructures,but this is not anefficient strategy. In this paper,weinvestigatethe efficacyof applyinga surface measurein the computationof molecularstructure, usinga methodof probabilistic least square computationswhich
Jeanette P. Schmidt, Cheng Che Chen, Jonathan L. C
Added 01 Nov 2010
Updated 01 Nov 2010
Type Conference
Year 1998
Where ISMB
Authors Jeanette P. Schmidt, Cheng Che Chen, Jonathan L. Cooper, Russ B. Altman
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