Last week I gave a presentation on our BLUES approach for ligand binding mode sampling at OpenEye’s San Diego MiniCUP presentation. Particular thanks are due to my students Nathan Lim (who did some real Keynote wizardry for these slides, which he gave a few weeks ago in London as well) and Sam Gill. Keynote slides (200+ MB) containing the MiniCUP presentation are up; I’ve also posted a PDF version (no movies) on ResearchGate.
Part of this work is discussed in our BLUES preprint on ChemRxiv.
– David L. Mobley