Physics-Based Simulation of Ion Channels

Ion channels are vitally important biological molecules which selectively transport ions into and out of our cells. How they do this, however, has long been a mystery. We are using polarizable force field simulations to unlock the mystery of ion conduction.


Thermodynamics of ion binding and occupancy in potassium channels

Zhifeng Jing, Joshua A Rackers, Lawrence Pratt, Chengwen Liu, Susan B Rempe, Pengyu Ren

Chemical Science, Royal Society of Chemistry, 2021


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