Now showing items 1-4 of 4

    • JUMBO - An XML infrastructure for eScience 

      Yong, Zhang; Murray-Rust, Peter; Dove, Martin T; Glen, Robert C; Rzepa, Henry S; Townsend, Joseph A; Tyrrell, Simon M et al. (2008-06-26)
      JUMBO is an OpenSource toolkit addressing the semantic and ontological impedances that are major barriers to interoperability in computational chemistry and physics. Users build XMLSchemas from generic XML components to ...
    • Predicting the mechanism of phospholipidosis 

      Lowe, Robert; Mussa, Hamse Y; Nigsch, Florian; Glen, Robert C; Mitchell, John BO (2012-01-26)
      Abstract The mechanism of phospholipidosis is still not well understood. Numerous different mechanisms have been proposed, varying from direct inhibition of the breakdown of phospholipids to the binding of a drug compound ...
    • Relating GPCRs pharmacological space based on ligands chemical similarities 

      Koutsoukas, Alexios; Torella, Rubben; Drakakis, George; Bender, Andreas; Glen, Robert C (2013-03-22)
    • A semantic Grid for molecular science 

      Murray-Rust, Peter; Glen, Robert C; Rzepa, Henry S; Stewart, James J P; Townsend, Joseph A; Willighagen, Egon L; Yong, Zhang (2008-06-26)
      The properties of molecules have very well defined semantics and allow the creation of a semantic GRID. Markup languages (CML - Chemical Markup Language) and dictionary-based ontologies have been designed to support a wide ...