Free Energy Perturbation (FEP): Another technique in the drug discovery toolbox
Introduction When I first started using CHARMM over 20 years ago as a PhD student, I regularly came across references ...
We’re finalizing plans for Field Based Chemistry North America.
There is still space left to attend the scientific program which has the following great line up of speakers who will provide an informative day.
Upcoming features and future horizons
Ligand-based virtual screening: How can we do better?
Using field based chemistry methods to understand sequence-specific protein-DNA interactions
The trend to outsource computational chemistry
New drugs from old compounds
Drug hunts with sparkV10: case studies from the literature and current campaigns to develop immunokinase inhibitors
Performance of XedEx and other conformational search algorithms on flexible scaffolds
Identification of a novel inhibitor of HIV-1 entry using scaffold-hopping and bioisosteric replacement