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    JCC
    2007
    79views more  JCC 2007»
    Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
    14 years 9 months ago
    Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
    Download  rsc.anu.edu.au
    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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    JODL
    2007
    109views more  JODL 2007»
    Examining topic shifts in content-oriented XML retrieval
    14 years 9 months ago
    Examining topic shifts in content-oriented XML retrieval
    Download  www.dcs.gla.ac.uk
    Abstract. Content-oriented XML retrieval systems support access to XML repositories by retrieving, in response to user queries, XML document components (XML elements) instead of wh...
    Elham Ashoori, Mounia Lalmas, Theodora Tsikrika
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    BMCBI
    2004
    100views more  BMCBI 2004»
    Handling multiple testing while interpreting microarrays with the Gene Ontology Database
    14 years 9 months ago
    Handling multiple testing while interpreting microarrays with the Gene Ontology Database
    Download  www.biomedcentral.com
    Background: The development of software tools that analyze microarray data in the context of genetic knowledgebases is being pursued by multiple research groups using different me...
    Michael V. Osier, Hongyu Zhao, Kei-Hoi Cheung
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    96
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    BMCBI
    2004
    114views more  BMCBI 2004»
    Extending the mutual information measure to rank inferred literature relationships
    14 years 9 months ago
    Extending the mutual information measure to rank inferred literature relationships
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    Background: Within the peer-reviewed literature, associations between two things are not always recognized until commonalities between them become apparent. These commonalities ca...
    Jonathan D. Wren
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    CORR
    2004
    Springer
    103views Education» more  CORR 2004»
    Online convex optimization in the bandit setting: gradient descent without a gradient
    14 years 9 months ago
    Online convex optimization in the bandit setting: gradient descent without a gradient
    Download  www.cs.cmu.edu
    We study a general online convex optimization problem. We have a convex set S and an unknown sequence of cost functions c1, c2, . . . , and in each period, we choose a feasible po...
    Abraham Flaxman, Adam Tauman Kalai, H. Brendan McM...
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