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CIBCB
2006
IEEE
15 years 5 months ago
A Stochastic model to estimate the time taken for Protein-Ligand Docking
Abstract— Quantum mechanics and molecular dynamic simulation provide important insights into structural configurations and molecular interaction data today. To extend this atomi...
Preetam Ghosh, Samik Ghosh, Kalyan Basu, Sajal K. ...
IPPS
2005
IEEE
15 years 5 months ago
Improvement of Power-Performance Efficiency for High-End Computing
Left unchecked, the fundamental drive to increase peak performance using tens of thousands of power hungry components will lead to intolerable operating costs and failure rates. R...
Rong Ge, Xizhou Feng, Kirk W. Cameron
CAD
2008
Springer
14 years 11 months ago
Geometrically exact dynamic splines
In this paper, we propose a complete model handling the physical simulation of deformable 1D objects. We formulate continuous expressions for stretching, bending and twisting ener...
Adrien Theetten, Laurent Grisoni, Claude Andriot, ...
JCC
2006
58views more  JCC 2006»
14 years 11 months ago
On the reversible O2 binding of the Fe-porphyrin complex
: Electronic mechanism of the reversible O2 binding by heme was studied by using Density Functional Theory calculations. The ground state of oxyheme was calculated to be open singl...
Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakat...
IJCAI
1989
15 years 15 days ago
Bidirectional Use of Knowledge in the Multi-modal NL Access System XTRA
The acceptability and effectiveness of an expert system is critically dependent on its user interface. Natural language could be a well-suited communicative medium; however, curre...
Jürgen Allgayer, Roman M. Jansen-Winkeln, Car...