Method to evaluate partial volume of a globular protein based on its atomic coordinates
Abstract
A new technique is proposed to evaluate partial molecular volume of a globular protein where the bulk of
the molecule is treated as consisting of cones with common vertex, whose bases correspond to surface
atoms and constitute the surface of the molecule. Volume of molecule is assumed to be sum of the
volumes of the cones. Volume of each cone is evaluated through the square of its base which, in turn, is
calculated from amount of clear space around corresponding atom. Evaluating of volumes of some
protein molecules using the method shows good agreement with experimental data
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References
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