Atomic models from low resolution maps with density-guided MD simulations

Ion channels, transporters, and receptors are some of the most important pharmaceutical targets in our body. Their whose physiological role is tightly coupled to their ability to cycle through various functional states with high fidelity. Though membrane proteins have historically been recalcitrant to structural studies, the ‘resolution revolution’ of cryoEM has opened the floodgates, leading to a rapid influx of structures for previously unseen targets. These structures have revealed the architecture of many exemplar channels, transporters, and receptors.