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PPOPP
2006
ACM
14 years 2 months ago
Performance characterization of molecular dynamics techniques for biomolecular simulations
Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
Sadaf R. Alam, Jeffrey S. Vetter, Pratul K. Agarwa...
HPCC
2005
Springer
14 years 2 months ago
High Performance Subgraph Mining in Molecular Compounds
Structured data represented in the form of graphs arises in several fields of the science and the growing amount of available data makes distributed graph mining techniques partic...
Giuseppe Di Fatta, Michael R. Berthold
IPPS
1999
IEEE
14 years 26 days ago
A Parallel Algorithm for Bound-Smoothing
Determining molecular structure from interatomic distances is an important and challenging problem. Given a molecule with n atoms, lower and upper bounds on interatomic distances ...
Kumar Rajan, Narsingh Deo
FGCS
2007
106views more  FGCS 2007»
13 years 8 months ago
A parallel hybrid genetic algorithm for protein structure prediction on the computational grid
Solving the structure prediction problem for complex proteins is difficult and computationally expensive. In this paper, we propose a bicriterion parallel hybrid genetic algorith...
Alexandru-Adrian Tantar, Nouredine Melab, El-Ghaza...
GECCO
2005
Springer
189views Optimization» more  GECCO 2005»
14 years 2 months ago
Molecular programming: evolving genetic programs in a test tube
We present a molecular computing algorithm for evolving DNA-encoded genetic programs in a test tube. The use of synthetic DNA molecules combined with biochemical techniques for va...
Byoung-Tak Zhang, Ha-Young Jang