Quality Meshing of Implicit Solvation Models of Biomolecular Structures.
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ABSTRACT:
SUBMITTER: Zhang Y
PROVIDER: S-EPMC2756697 | biostudies-literature | 2006 Aug
REPOSITORIES: biostudies-literature
Publications
Quality Meshing of Implicit Solvation Models of Biomolecular Structures.
Zhang Yongjie Y Xu Guoliang G Bajaj Chandrajit C
Computer aided geometric design 20060801 6
This paper describes a comprehensive approach to construct quality meshes for implicit solvation models of biomolecular structures starting from atomic resolution data in the Protein Data Bank (PDB). First, a smooth volumetric electron density map is constructed from atomic data using weighted Gaussian isotropic kernel functions and a two-level clustering technique. This enables the selection of a smooth implicit solvation surface approximation to the Lee-Richards molecular surface. Next, a modi ...[more]
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