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CSB
2005
IEEE
135views Bioinformatics» more  CSB 2005»
13 years 10 months ago
Inverse Design of Large Molecules using Linear Diophantine Equations
We have previously developed a method [1] for the inverse design of small ligands. This method can be used to design novel compounds with optimized properties (such as drugs) and ...
Shawn Martin, W. Michael Brown, Jean-Loup Faulon, ...
SIAMSC
2008
140views more  SIAMSC 2008»
13 years 4 months ago
Compact Fourier Analysis for Designing Multigrid Methods
The convergence of Multigrid methods can be analyzed based on a Fourier analysis of the method or by proving certain inequalities that have to be fulfilled by the smoother and by t...
Thomas K. Huckle