Meet us at ....

17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop

We will present 'New Technology for the Acceleration of 3D Screening' • Meet us on stand B.6

Designs beyond similarity: Using the active site to generate new designs for your project

Learn how Spark is used to add R-groups to an existing ligand in a structure-based design workflow to generate new designs for your project.

Computational Chemistry in the Life Sciences: An Industry-Academia Forum

Discover the advantages and applications of computational approaches in the life sciences, with talks delivered by leading experts from Cresset.

33rd Medicinal Chemistry in Eastern England

University College Dublin Computational Chemistry Spring School

A 2-day computational chemistry course focused on the life and chemical sciences.

Automated determination of optimal λ schedules for free energy calculations

Relative free energy calculations are being increasingly used in drug discovery due to the combination of improved algorithms, faster hardware and better usability. Learn an innovative method for automatically determining optimal λ schedules for a given transformation.

UK-QSAR Spring 2022 Meeting

8th Fragment-based Drug Discovery Meeting

ACS Spring 2022

Mark Mackey, Cresset CSO, will present 'Automated determination of optimal λ schedules for free energy calculations' on March 20th at 5pm via Zoom Room 6 (virtual room)

Experimental and in-silico approaches to target selection and tractability for drug discovery