Cresset March 2022 newsletter

Mar 31, 2022

A roundup of computational chemistry news from Cresset in March.

Posted by Cresset

Carrying out a conformation hunt and ligand alignment in Flare™

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 Cresset 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

See all open positions

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