比利时vs摩洛哥足彩
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university of california san diego
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informal seminar on mathematics and biochemistry-biophysics
zeyun yu
math and biochemistry, ucsd
molecular mesh generation and processing
abstract:
molecular surface and volumetric meshes are important for molecular modeling and simulation. i'll talk about mesh generation using a so-called "soft-model" approach, meaning that each atom is treated as a smoothly decaying gaussian function instead of a hard sphere, and the molecular surfaces are given as level sets of the summation of such functions from all atoms in a molecule. the mesh generation toolchain consists of several steps: (1) from molecules to 3d volumes; (2) from volumes to initial surface meshes; (3) surface mesh post-processing; and (4) volumetric mesh generation and smoothing. a number of examples on molecules taken from protein data bank (pdb) will be demonstrated.
organizers: li-tien cheng and bo li
october 30, 2007
3:00 pm
ap&m 5402
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