Cambridge, UK – 10 May 2017 – Cresset, innovative provider of software and contract research services for small molecule discovery and design, announces full line-up for The Cresset User Group Meeting, 29th – 30th June 2017 in Cambridge, UK.

The scientific program on 29th June 2017 features speakers from 4 continents. Cresset scientists will present ‘New Insights for Structure-based Design with Flare’, ‘Peeking into the Heart of New Cresset Science’ and ‘What’s New in Ligand-based Design’. In addition, delegates will hear from:

  • AbbVie, USA: Important Aspects of Fragment Screening Collection Design
  • Bayer Pharma, Germany: In SilicoADMET at Bayer: Technologies and Applications
  • BioBlocks Inc., USA: The CFL: A 3D Enabled Fragment Library for Medicinal Chemistry Discovery
  • Cancer Therapeutics CRC, Australia: Integrating the Cresset Platform into Cancer Therapeutics CRC (CTx)
  • Evotec, UK: What Should I Make Next?
  • Institute for Stem Cell Biology and Regenerative Medicine, India: Representation of Small Molecule as Molecular Field Points Empowers Computational Chemists
  • International Flavors and Fragrances, USA: Can Cresset Tools Inform Fragrance Molecule Design?
  • Lilly, UK: Structure-blinded Virtual Screening: Use of Cresset Blaze in the Lilly Open Innovation Drug Discovery Program
  • University of Bristol, UK: Understanding Protein-ligand Binding at the Molecular Level: Using Swap-based Methods to Visualise Binding Free Energy Components
  • University of Bristol, UK: Virtual Reality and Real-time Molecular Dynamics for Chemistry
  • University of Edinburgh, UK: Molecular Simulation and Experimental Approaches to Ensemble-based Drug Design

Workshops on 30th June give computational, medicinal and synthetic chemists the opportunity to get hands-on with Cresset applications:

  • Flare, new insights for structure-based design
  • SAR with Forge using Activity Atlas models and Activity Miner
  • Spark, to quickly generate novel ideas and bioisosteres for molecule cores and R-groups
  • Virtual screening, using Blaze Cloud
  • 3D-QSAR, using Forge to improve compound design
  • Torch, for optimizing more than potency

“We have an exciting, diverse and varied program of speakers this year and I’m looking forward to hearing the latest on their research,” says Dr Robert Scoffin, CEO at Cresset. “The meeting will also mark the launch of Flare, our new workbench for structure-based design. Workshop places are almost fully booked for hands-on sessions with Flare and our other innovative applications for molecule design.”

Read abstracts, biographies, workshop schedule and register: http://www.cresset-group.com/cugm17/