Computational chemistry news from Cresset, July 2019

Jul 31, 2019

Posted by Cresset

The importance of understanding protein-protein and protein-ligand interactions in immuno-oncology

Immuno-oncology represents a new paradigm in the fight against cancer and is showing significant promise in the clinic. The first two targets of checkpoint blockade showed that T-cell activation through interference with cell surface receptors could be successful as a cancer chemotherapy. Pivotal to this is protein-protein interactions. Expansion of this approach from its current biologics context to the realm of small molecules means expert computational modelling techniques are hugely beneficial.

Installing Flare™ Python extensions on Windows®

Flare features an API that enables its functionality to be extended with Python scripts. See how to install Python extensions for Flare on Windows.

Preview of Torx™ –  your platform for small molecule discovery chemistry

Meet our team at the following events to find out how Torx, your platform for small molecule discovery chemistry, can improve team work and reduce your DMTA cycle time.

  • 1-5 September • EFMC International Symposium on Advances in Synthetic and Medicinal Chemistry, Athens, GreeceMeet us at stand 1
  • 8-11 September • SCI/RSC Medicinal Chemistry Symposium, Cambridge, UKMeet us at stand D

Other upcoming events

  • 25-29  August • 258th ACS National Meeting, San Diego CA, US
  • 2-3 September • 2nd RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry, Cambridge, UK
  • 4-6 September • 7th Annual CCPBioSim Conference – Frontiers in Biomolecular Simulation, Bristol, UK
  • 10-12 September • 7th RSC/SCI Symposium on GPCRs in Medicinal Chemistry, Verona, Italy
  • 25 September • Chemistry Networks: Focus on AI and Machine Learning, Cambridge, UK
  • 25-26 September • 19th Annual Biotech in Europe Forum, Basel, Switzerland
  • 25 September • 8th RDKit UGM, Hamburg, Germany

See all events.

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