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BMCBI
2005
120views more  BMCBI 2005»
15 years 2 months ago
SpectralNET - an application for spectral graph analysis and visualization
Background: Graph theory provides a computational framework for modeling a variety of datasets including those emerging from genomics, proteomics, and chemical genetics. Networks ...
Joshua J. Forman, Paul A. Clemons, Stuart L. Schre...
130
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BMCBI
2005
131views more  BMCBI 2005»
15 years 2 months ago
Critical evaluation of the JDO API for the persistence and portability requirements of complex biological databases
Background: Complex biological database systems have become key computational tools used daily by scientists and researchers. Many of these systems must be capable of executing on...
Marko Srdanovic, Ulf Schenk, Michael Schwieger, Fa...
BMCBI
2005
114views more  BMCBI 2005»
15 years 2 months ago
Systematic analysis of human kinase genes: a large number of genes and alternative splicing events result in functional and stru
Background: Protein kinases are a well defined family of proteins, characterized by the presence of a common kinase catalytic domain and playing a significant role in many importa...
Luciano Milanesi, Mauro Petrillo, Leandra Sepe, An...
126
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BMCBI
2005
142views more  BMCBI 2005»
15 years 2 months ago
High performance workflow implementation for protein surface characterization using grid technology
Background: This study concerns the development of a high performance workflow that, using grid technology, correlates different kinds of Bioinformatics data, starting from the ba...
Ivan Merelli, Giulia Morra, Daniele D'Agostino, An...
97
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JCC
2007
79views more  JCC 2007»
15 years 2 months ago
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
Abstract: A hybrid quantum mechanical/molecular mechanical (QM/MM) potential energy function with HartreeFock, density functional theory (DFT), and post-HF (RIMP2, MP2, CCSD) capab...
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. ...
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