January 2018 newsletter

Spark V10.5 released

This new release of Spark, our scaffold hopping and bioisostere replacement tool, focuses on advanced workflows and improved database management. Giovanna Tedesco, Product Manager, details the highlights of this release and lists the many other new features and improvements.

Existing users are encouraged to upgrade to Spark  V10.5 at their earliest convenience and to download the Spark V10.5 keyboard shortcuts and Spark V10.5 Molecule Editor keyboard shortcuts.

If you’re not yet a Spark user, but are interested in advancing your research through R-group exploration, patent busting or scaffold hopping, please request a free evaluation.

Video tips and tricks

• What’s new in Spark V10.5
  • View the highlights of this new release of Spark.
• Interacting with structures in Flare
  • Learn how to interact with proteins, protein chains, water molecules and small molecule ligands in the Flare GUI.
• Tagging by cluster using Activity Miner
  • Learn how to tag compounds in a Forge project by cluster membership, following a cluster analysis run with Activity Miner.

See these and more video tips and tricks.

Citations and editorial

• Auxin molecular field maps define AUX1 selectivity: many auxin herbicides are not substrates, New Phytologist
• Structure-activity modelling of essential oils, their components, and key molecular parameters and descriptors, Molecular and Cellular Probes
• Accurate protein electrostatics add a new dimension to structure-based design, International Pharmaceutical Industry

Registration open for The Cresset User Group Meeting 2018

Register early to secure your space at The Cresset User Group Meeting. Confirmed speakers include: AbbVie Inc., USA; Cancer Therapeutics CRC, Australia; Novartis, Switzerland.