摘要
We present a general framework for a higher-order spline level-set （HLS） method and apply this to biomolecule surfaces construction. Starting from a first order energy functional, we obtain a general level set formulation of geometric partial differential equation, and provide an efficient approach to solving this partial differential equation using a C2 spline basis. We also present a fast cubic spline interpolation algorithm based on convolution and the Z-transform, which exploits the local relationship of interpolatory cubic spline coefficients with respect to given function data values. One example of our HLS method is demonstrated their individual atomic coordinates which is the construction of biomolecule and solvated radii as prerequisites. surfaces （an implicit solvation interface） with
We present a general framework for a higher-order spline level-set （HLS） method and apply this to biomolecule surfaces construction. Starting from a first order energy functional, we obtain a general level set formulation of geometric partial differential equation, and provide an efficient approach to solving this partial differential equation using a C2 spline basis. We also present a fast cubic spline interpolation algorithm based on convolution and the Z-transform, which exploits the local relationship of interpolatory cubic spline coefficients with respect to given function data values. One example of our HLS method is demonstrated their individual atomic coordinates which is the construction of biomolecule and solvated radii as prerequisites. surfaces （an implicit solvation interface） with
基金
Bajaj is supported in part by NSF of USA under Grant No. CNS-0540033
NIH under Grant Nos. P20-RR020647, R01- EB00487, R01-GM074258, R01-GM07308.
Xu and Zhang are supported by the National Natural Science Foundation of China under Grant No. 60773165
the National Basic Research 973 Program of China under Grant No. 2004CB318000.
Zhang is also supported by Beijing Educational Committee Foundation under Grant No. KM200811232009.
