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IJCAI
2001
15 years 1 months ago
The Levelwise Version Space Algorithm and its Application to Molecular Fragment Finding
A tight integration of Mitchell's version space algorithm with Agrawal et al.'s Apriori algorithm is presented. The algorithm can be used to generate patterns that satis...
Luc De Raedt, Stefan Kramer
BMCBI
2004
124views more  BMCBI 2004»
14 years 11 months ago
The Molecular Pages of the mesotelencephalic dopamine consortium (DopaNet)
Background: DopaNet http://www.dopanet.org is a Systems Biology initiative that aims to investigate precisely and quantitatively all the aspects of neurotransmission in a specific...
Nicolas Le Novère, Marco Donizelli
ISMB
1997
15 years 1 months ago
Adding Semantics to Genome Databases: Towards an Ontology for Molecular Biology
Molecular biology has a communicationproblem. There are manydatabases using their ownlabels and categories for storing data objects and someusing identical labels andcategories bu...
Steffen Schulze-Kremer
CPHYSICS
2008
121views more  CPHYSICS 2008»
14 years 11 months ago
A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations
A scalable parallel algorithm has been designed to perform multimillion-atom molecular dynamics (MD) simulations, in which first principlesbased reactive force fields (ReaxFF) des...
Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, ...
ICCS
2004
Springer
15 years 5 months ago
Improved Sampling for Biological Molecules Using Shadow Hybrid Monte Carlo
Shadow Hybrid Monte Carlo (SHMC) is a new method for sampling the phase space of large biological molecules. It improves sampling by allowing larger time steps and system sizes in ...
Scott S. Hampton, Jesús A. Izaguirre