December 2020 newsletter

CEO's end of year message

Robert Scoffin, CEO, reviews 2020 - from our continued growth, scientific developments, software and services solutions, to the important partnerships we have developed.

Pick new ligand-protein interactions from the active site Cmpd 1 bound to GSK-3Bwith Spark™ 

In this case study, we demonstrate how the new Spark docking feature can prioritize alternative R-groups picking ligand-protein interactions directly from the active site of GSK-3β.

What's new in Spark V10.6 Spark v10.6 webclip capture

Tour the new features in Spark V10.6, our bioisostere replacement and scaffold hopping tool, including improved search methods for refined molecule design and the new docking functionality.

Enabling synthetic chemistry teams to stay connected Torx synthesis blog_Figure 1with Torx Make™

In this blog, we explore how Torx Make can facilitate the tracking and management of any project compound in seconds, allowing drug discovery teams to connect and share information without the need for resource-intensive progress meetings.

Automated Assessment of Binding Affinity via Alchemical Free Energy Calculations

Last month Mark Mackey, CSO, presented 'Automated Assessment of Binding Affinity via Alchemical Free Energy Calculations' at the Chodera Lab Workshop on Free Energy Methods in Drug Design. Listen to the recording of Mark's presentation.

January 12th and 13th

Exploit project knowledge: Understand SAR to inform ligand design

Learn how Activity Miner™ and Activity Atlas™ can give a clear rationale for changes in activity and provide inspiration for how to exploit this knowledge in new design iterations.

January 21st

Improving team working and information delivery across Design-Make-Test-Analyze: Spotlight on molecule design

Learn how to use Torx Design™ to sketch molecule designs using customizable plugins, share ideas with others in the project in an information rich environment, and discuss and collaborate in real time using shared sessions. Registration is open.

June 15th, 16th, 17th

Cresset User Group Meeting 2021

The Cresset UGM 2021 will be delivered online again in 2021. Details of presentations and timings will be announced soon.

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