Molecular Basis of CLC Antiporter Inhibition by Fluoride

April 1, 2020 - The prestigious Journal of the American Chemical Society has just published the article:

Molecular Basis of CLC Antiporter Inhibition by Fluoride

by some members of IAS-5 / INM-9 in collaboration with an internaltional team.

The binding of protons and their transport through the cell membrane are crucial steps for many cellular processes. CLC chloride/proton transporters are present in almost every living cell and regulate the pH value, chloride concentrations and membrane potentials of intracellular cell compartments. We have used massively parallel hybrid quantum mechanical/classical mechanical simulations to investigate how these chloride transporters differentiate between the anions and what happens when fluoride binds to the protein. The article has also raised the attention of the local press. Here, you can find the original press release.