March 2022 newsletter

Carrying out a conformation 
hunt and ligand alignment in Flare™ Ligand alignment in Flare-thumbnail

Learn how to align a set of ligands to an active reference molecule in our comprehensive molecule design platform, Flare, to make meaningful comparisons across your chemical series.


April 27th • Automated determination of optimal λ schedules for free energy calculations

Mark Mackey, CSO, presents a new method for automatically determining optimal λ schedules for a given transformation using a short pre-calculation.


May 5th • Designs beyond similarity: Using the active site to generate new designs for your project

Nathan Kidley, Senior Application Scientist, will demonstrate how Spark™ is used to add R-groups to an existing ligand in a structure-based design workflow.


June 16th • Andy Vinter Memorial Meeting


Hybrid: Cambridge, UK • Virtual

We hope you’re able to join us, either in-person or virtually, to celebrate the
life and work of Andy Vinter, founder of Cresset. Presenters include: 

  • Stevan Djuric, Discovery Chemistry and Technology Consulting LLC (USA)
  • Ingo Mügge, Alkermes (USA) 
  • Gianni Chessari, Astex (UK)
  • Lewis Whitehead, 1910 Genetics (USA)
  • Manoranjan Panda, BMS (India)
  • Arkasubhra Ghosh, Narayana Nethralaya Foundation (India)
  • Steve Maginn, MGMS (UK)
  • Kaz Ikeda, Keio University (Japan)
  • John Chodera (Memorial Sloan-Kettering Cancer Center (USA)
  • Jason Cole, CCDC (UK)
  • Mark Mackey, Cresset (UK)
  • Rob Scoffin, Cresset (UK)

Register for Andy Vinter Memorial Meeting

The Translation team at Francis Crick Institute are working with Cressetcrick-logo Discovery to bring computational chemistry expertise to the Crick

Cambridge, UK – March 29th, 2022 – Cresset Discovery, provider of CADD expertise for drug discovery, is collaborating with the Translation team at The Francis Crick Institute as expert computational chemist in residence.

We're hiring...

  • FEP Application Scientist, UK
  • Application Scientist, UK / USA / India
  • Postdoctoral Program, UK
  • Account Manager - Software, UK and Europe, UK
  • Team Leader - Discovery, UK
  • Content Marketing Executive, UK
  • C++ Software Engineer, UK
  • Web Developer, UK

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