The meeting will take place from 9.30am to 4.30pm on Thursday 13th September 2012 and includes a poster session and lunch. The detailed schedule is provided below: 0930-1000 COFFEE / REGISTRATION 1000-1005 Richard Bryce (Manchester) welcome 1005-1050 Rob Woods (Georgia/NUI Galway) "Computational screening of the human glycome: predicting carbohydrate binding specificity" 1050-1120 Grant Churchill (Oxford) "Finding chemical tools from biological messengers with virtual screening" 1120-1150 Malcolm Walkinshaw (Edinburgh) "Allosteric inhibitors of the glycolytic pathway" 1150-1220 Bohdan Waszkowycz (Manchester) "Hit identification for novel oncology targets - integrating computational and experimental strategies." 1220-1335 LUNCH / POSTERS 1335-1405 Andreas Bender (Cambridge) "Computational approaches to mode-of-action analysis and polypharmacology" 1405-1435 Mike Mazanetz (Evotec) "Intelligent design: cheminformatics extensions for KNIME" 1435-1505 COFFEE / POSTERS 1505-1550 Amedeo Caflisch (Zurich) "Library screening by fragment-based docking" 1550-1620 Ian Gould (Imperial) "MULES (Mutational Locally Enhanced Sampling) a new method for quantitative prediction of relative binding free energies" 1620-1630 Richard Bryce/Neil Burton (Manchester) closing remarks