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Computational chemistry news from Cresset, December 2019

Published on 11/12/2019
Computational chemistry news from Cresset, December 2019

CEO end of year message

Rob Scoffin, CEO, reviews another successful year for Cresset, including the growing team, new product development and consulting services.

Free Energy Perturbation (FEP): Another technique in the drug discovery toolbox

The pharmaceutical industry is always looking for ways to improve productivity at the hit-to-lead and lead optimization stages. Stuart Firth-Clark discusses the best practices in setting up an FEP experiment.

Flare V3 keyboard shortcuts

Following the release of Flare V3 last month, download these handy keyboard shortcuts to refer to whilst using Flare V3.

January 14th • Cambridge, MA, US

Lunch and learn hands-on software workshop

Exploring accessible R-groups using electrostatics and shape

Spark™ offers a rapid strategy for the identification of R-group replacements to explore new space. You will learn how to find biologically equivalent replacements using the electrostatic and shape character for key moieties in your molecule. Topics covered include R-group replacement and growing a ligand into new space, guided by existing ligands mapping a different region of the active site of your protein.

All attendees will receive a 60 day free trial of Cresset desktop solutions. Register today.

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