Presentations from Cresset's user group meetings 2014

Cresset’s North American user meeting was held on June 11th. We were kindly hosted by Novartis in their Cambridge, MA facilities. The European meeting took place the following week on June 19th – 20th at Madingley Hall, Cambridge, UK.

Between them, the meetings were attended by a diverse group of computational and medicinal chemists from academia, industry and patent offices.

Links are provided below to the non-Cresset presentations we have permission to publish plus presentations by Cresset.

North American meeting – non-Cresset presentations

  • Can field based chemistry help us to predict protein-DNA binding sites?, Daniel Barr (Utica College)
  • Organic conversions: an aid in perspective, Lewis Whitehead (Novartis)

European meeting – non-Cresset presentations

  • Identification of novel potential anti-cancer agents using network pharmacology based computational modeling, Ben Allen (E-Therapeutics)
  • Knowledge-based chemical fragment analysis in protein binding sites, Edith Chan, Wolfson Institute for Biomedical Research, UCL
  • Using waterswap to predict and understand binding affinities, Christopher Woods (University of Bristol)
  • Panel discussion: Deploying modeling tools to medicinal chemists (Cambridge Med Chem Consulting, Cresset, Evotec, MAQU Chemistry Consulting, Takeda)

Cresset presentations from North American and European meetings

  • Consulting services case study, Martin Slater
  • New features in Cresset’s products, Tim Cheeseright
  • Selectivity mining – multiple activities in Activity Miner, Martin Slater
  • Smart drug re-profiling using computational chemistry tools novel biology and pharmacological insights, Rob Scoffin
  • Comparing the electrostatic properties of protein active sites and other Cresset research, Mark Mackey and Susana Tomasio
  • Torch for medicinal chemists, Tim Cheeseright


Both the North American and European meetings incorporated software workshops for delegates to receive hands-on software training on Torch with Activity Miner, Forge and Spark. Advanced workshops were also run for experienced users to learn more about recent new features in the software.

Contact us if you are interested in contributing to the scientific program of the 2015 Cresset user meetings.

Delegates at European user group meeting at Madingley Hall, Cambridge, UK
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Delegates being guided through software workshop in North America
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