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
- 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)
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.
- 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