July 2016 newsletter

Activity Atlas analysis of sodium channel antagonists (part I)

Activity Atlas is a component of Forge, our ligand design and SAR analysis workbench. The case study Activity Atlas analysis of sodium channel antagonists (part I) demonstrates the use of Activity Atlas in analyzing the SAR of the phenyl ring in a small series of Nav1.7 sodium channel antagonists, in the absence of crystallographic information about the bioactive conformation.


July 2016 updated Spark reagent databases available for download

The July 2016 release of the eMolecules reagent databases is now available for download.


GUI tips and tricks


Cresset Discovery Services business case studies

  • Engaging with Cresset Discovery Services: CDS offers bespoke in silico services for small molecule discovery for pharmaceuticals, agrochemicals, flavors and fragrances. Martin Slater explains the process of engagement, from the first contact to the final deliverables.
  • Identifying protein targets: Computational approaches to identifying protein targets offer significant shortcuts by narrowing the search down to a few likely candidates. Martin Slater describes how an academic group saved time and money by outsourcing a protein identification project to Cresset Discovery Services as a very cost effective way of cutting down their list of potential targets.

Symposium on Innovative Software for the Discovery and Design of Novel Compounds

Hear how existing customers use Cresset software, understand how Cresset solutions can increase the effectiveness of your discovery programs and see demonstrations of Cresset software.


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