2 papers
q-bio.SC2018
Boundary lipids of the nicotinic acetylcholine receptor: spontaneous partitioning via coarse-grained molecular dynamics simulation
Liam Sharp, Reza Salari, Grace Brannigan
Reconstituted nicotinic acetylcholine receptors (nAChRs) exhibit significant gain-of-function upon addition of cholesterol to reconstitution mixtures, and cholesterol affects organ…
q-bio.QM2018
A streamlined, general approach for computing ligand binding free energies and its application to GPCR-bound cholesterol
Reza Salari, Thomas Joseph, Ruchi Lohia +2
The theory of receptor-ligand binding equilibria has long been well-established in biochemistry, and was primarily constructed to describe dilute aqueous solutions. Accordingly, fe…