Molecular Kinetics

Friday, June 1, 2007 - 2:00pm - 2:30pm
Ming Zhang (University of Texas)
Conformational searching is a core task in inverse molecular
kinematics. Algorithmic improvements affecting either the speed or
quality of conformational searching will have a profound impact on
applications including ligand-receptor docking, ab initio prediction
of protein structure, and protein folding. In this talk, we focus on a
specific geometry-constrained conformational searching problem, where
some feature atoms have pre-specified target positions. Using Bezier
subdivision, we present a method to locate and approximate the
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