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CCE
2005
13 years 7 months ago
Computer-aided molecular design using Tabu search
A detailed implementation of the Tabu Search (TS) algorithm for computer-aided molecular design (CAMD) of transition metal catalysts is presented in this paper. Previous CAMD rese...
Bao Lin, Sunitha Chavali, Kyle V. Camarda, David C...
IWPEC
2009
Springer
14 years 2 months ago
Stable Assignment with Couples: Parameterized Complexity and Local Search
We study the Hospitals/Residents with Couples problem, a variant of the classical Stable Marriage problem. This is the extension of the Hospitals/Residents problem where residents ...
Dániel Marx, Ildikó Schlotter
CVPR
2012
IEEE
11 years 10 months ago
A game-theoretic approach to deformable shape matching
We consider the problem of minimum distortion intrinsic correspondence between deformable shapes, many useful formulations of which give rise to the NP-hard quadratic assignment p...
Emanuele Rodolà, Alexander M. Bronstein, An...
CGF
2010
143views more  CGF 2010»
13 years 7 months ago
Coherent Culling and Shading for Large Molecular Dynamics Visualization
Molecular dynamics simulations are a principal tool for studying molecular systems. Such simulations are used to investigate molecular structure, dynamics, and thermodynamical pro...
Sebastian Grottel, Guido Reina, Carsten Dachsbache...
BMCBI
2010
84views more  BMCBI 2010»
13 years 7 months ago
Testing the additional predictive value of high-dimensional molecular data
Background: While high-dimensional molecular data such as microarray gene expression data have been used for disease outcome prediction or diagnosis purposes for about ten years i...
Anne-Laure Boulesteix, Torsten Hothorn