Computational chemistry news from Cresset.
Cresset publishes November 2017 newsletter
Tversky similarity in field-based virtual screening
Tim Cheeseright, Director of Products, describes how Tversky similarity is used to perform substructure and superstructure type searches using Blaze.
Computational approaches to ion channel drug discovery
Martin Slater, Director of Consulting Services, makes a case for information based strategies and ligand centric techniqueswhich pit the efficiency of rationality against blind trial and error.
Web clip tips and tricks
- Field based virtual screening: Blaze demo server
- Navigating complex SAR with Activity Atlas in Forge
- Ligand design in the protein active site using Flare
New Spark reagent databases
This month a small change is being made to the Spark reagent databases in that we now only include reagents that are in eMolecules’ Tiers 1, 2, and 3. These correspond to the most accessible reagents and should be a good source of inspiration for R-group design experiments in Spark.
Keyboard shortcut guides
The Cresset User Group Meeting • June 21-22, 2018
We are delighted to announce that the keynote lecture at The Cresset User Group Meeting in 2018 will be delivered by Dr Steve Djuric, Vice President Discovery, AbbVie Inc.
Bursary for students
Students have until January 12, 2018 to apply for a bursary to attend and present at the meeting.
Computational solutions for drug discovery