Improving PROTAC properties via single-point changes to linkers
We explore how computational methods can be applied to proteolysis targeting chimera (PROTAC) design, to effectively tackle some of the ...
News
There has been some debate recently over the modeling of protein-ligand interactions. Herein we show how XED3 models interactions to the halo-benzenes and to a range of other hetero-aromatics. It is interesting to contrast the MEPs for the halo-benzenese with those reported in a recent QM study.
Below is the MEPs for a range of hetero-aromatics as modelled in Forge. Interested? Try it for yourself with a free demo or get TorchLite free for 12 months.