Amongst the many theories attempting to explain the mechanism of GPCRs (those ubiquitous receptors that allow us to see, smell, digest, think, get hooked, run from danger and a thousand other vital actions) it appears that a single locking mechanism between an acid and a base within this massive protein is mostly responsible for converting the receptor from an active to an inactive form.

For the first time, the lock-opening action has been simulated by modeling with Cresset’s unique molecular mechanics force field, but not without the beautiful X-ray data supplied by Brian Kobilka, the latest scientist along with Robert Lefkowitz to win the 2012 Nobel Chemistry prize. Quality data gives quality answers; the contrary of which is all too often the case for modelers!

Congratulations Brian and Robert.

Andy Vinter
Chairman, Cresset