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In October 2008 CompChem SolutionsTM authored software reviews for SimBioSys's eHiTS and LASSO software for ligand docking and ligand similarity approaches, CCG's PSILO tool for macromolecular structural registration and querying, Aureus Pharma's AurPROFILER for prediction of the targets a given compound set is likely to hit, and Lhasa Ltd's Meteor tool for prediction of metabolites in the RSC's RSC's Chemistry World.


jim-2007-01558c

In May 2008 a paper entitled "Molecular Characterisation of Macbecin as an Hsp90 Inhibitor", co-authored by Susan Boyd of CompChem SolutionsTM in collaboration with a team from Biotica Ltd was published in the Journal of Medicinal Chemistry (Martin et al, J Med Chem, vol 51, 2853-2857, 2008). This is the second paper in the Hsp90 inhibitor series.


In October 2007 CompChem SolutionsTM authored software reviews for CCDC's Relibase+ software and BioSolveIT's advanced in silico tools for fragment-based drug design in the RSC's RSC's Chemistry World.


In September 2006 CompChem SolutionsTM authored software reviews for Inte:Ligand's LigandScout software, Pharma Algorithms' Algorithm Builder application and Dotmatics' advanced tools for chemical & biological data storage & querying in the RSC's RSC's Chemistry World.


CompChem SolutionsTM presented a poster on how computational chemistry can accelerate drug discovery, at the Genesis V Conference (London Biotech Network) in December 2005. The poster described the use of Inte:Ligand's LigandScout software for extraction of protein structure-based pharmacophores for CDK2, with subsequent virtual screening approaches, as well as a description of various library design techniques to aid selection of synthetic candidates. Copies of the poster can be obtained by contacting CompChem SolutionsTM.


CompChem SolutionsTM reviewed Gasteiger & Engel's book, "Chemoinformatics", and also contributed software reviews for BCI's Markush Toolkit and Inte:Ligand's ilib diverse software in the RSC's Chemistry World in October 2004. Software reviews of CCG's MOE software, AureusPharma's AurScope & AurQuest database products and Helix Genomics' Biological Operating System (BOS) appeared in the September 2005 issue of Chemistry World.


Digital Chemistry

Susan Boyd presented experiences with the Barnard Chemical Information's Markush toolkit at the 3rd Joint Sheffield Conference on Chemoinformatics, 2004. See the presentation here. Barnard Chemical Information was acquired in 2005 by Digital Chemistry.


An article in Current Drug Discovery by Susan Boyd and co-workers from Scynexis described how the integration of design, chemistry & purification in the drug discovery process can accelerate progress. See the abstract here, or request a reprint from CompChem SolutionsTM.

© CompChem Solutions 2004