May 2020 newsletter
Flare™ V4 release: Smarter and faster FEP calculations, new and improved force fields, improved Dynamics analysis tools Join Giovanna Tedesco, ...
Susan Henderson demonstrates how to use the conformation hunt and alignment features in Flare to align a set of molecules to a reference. The aligned molecules are then visually inspected to interpret any Structure-Activity Relationships that may exist.
Andy Smith shows how assessing the druggability of your active site at an early development stage can highlight any potentially costly issues of selectivity and accessibility that could slow or halt discovery progress further down the line.
Martin Slater, Director of Consulting Services, reviews the 6th RSC/SCI Ion Channels as Therapeutic Targets Symposium.
Learn how to use Flare™ to visualize ligand-protein interactions; design new molecules in the context of the active site; easily dock new molecule designs to a protein active site; and assess the electrostatic complementarity between ligands and protein. Register.
Due to the unpredictability of the COVID-19 situation at this time, we have taken the difficult decision to postpone the Andy Vinter Memorial Meeting to 2021. However, the Cresset User Group Meeting will go ahead, but with a change to the format, and will now be hosted as an online meeting. Register.