August 2020 newsletter

Aug 26, 2020

Posted by Cresset

Scientific validation of FEP projects in Flare™

Stuart Firth-Clark explores the scientific prerequisites for a successful FEP project in the Flare structure-based design platform. 

Best practices for alchemical free energy calculations

Mark Mackey, CSO, reviews a new live paper, Best Practices for Alchemical Free Energy Calculations, which aims to address the issues around setting up free energy calculations. 

Torx hero cutout_updateAccelerating small molecule discovery chemistry by optimizing your Design-Make-Test-Analyze workflow

Coordinating new molecule chemistry through the DMTA cycle has never been more important or more challenging. Tim Cheeseright, CEO of Torx Software describes how Torx™ uses DMTA as a guide to manage small molecule chemistry projects to a successful outcome whatever the business model adopted. 

See our solutions in action and try them on your own project

Below are highlights of web clips demonstrating functionality of our solutions.

For medicinal chemists


For computational chemists


See all web clips and if you’d like to try these on your project you can request a free evaluation.

Upcoming events

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