I just presented a virtual seminar to Pfizer on some of our work on using model systems to test/advance binding free energy calulations, and our recent work using BLUES for enhanced sampling of ligand binding modes. You can download my PDF slides on “Making alchemical free energy calculations practical for drug discovery“; I can also share the couple movies upon request*. If you would like a DOI for this, use the ResearchGate DOI.
* – The presentation is Keynote and won’t necessarily work for everyone, so I’ve uploaded PDF instead.
– David L. Mobley