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» The Inference Based on Molecular Computing
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IPPS
2002
IEEE
14 years 2 months ago
Massively Parallel Solutions for Molecular Sequence Analysis
In this paper we present new approaches to high performance protein database scanning on two novel massively parallel architectures to gain supercomputer power at low cost. The ļ¬...
Bertil Schmidt, Heiko Schröder, Manfred Schim...
CEC
2007
IEEE
14 years 4 months ago
The application of evolutionary multi-criteria optimization to dynamic molecular alignment
ā€” This study introduces the multi-criteria approach to the optimization of dynamic molecular alignment by shaped femtosecond laser pulses, which has been considered so far only a...
Ofer M. Shir, Michael Emmerich, Thomas Bäck, ...
DAGSTUHL
2010
13 years 11 months ago
Saliency Guided Summarization of Molecular Dynamics Simulations
We present a novel method to measure saliency in molecular dynamics simulation data. This saliency measure is based on a multiscale center-surround mechanism, which is fast and ef...
Robert Patro, Cheuk Yiu Ip, Amitabh Varshney
HPCC
2005
Springer
14 years 3 months ago
High Performance Subgraph Mining in Molecular Compounds
Structured data represented in the form of graphs arises in several ļ¬elds of the science and the growing amount of available data makes distributed graph mining techniques partic...
Giuseppe Di Fatta, Michael R. Berthold
ICML
2005
IEEE
14 years 10 months ago
Optimal assignment kernels for attributed molecular graphs
We propose a new kernel function for attributed molecular graphs, which is based on the idea of computing an optimal assignment from the atoms of one molecule to those of another ...
Andreas Zell, Florian Sieker, Holger Fröhlich...