Mechanism of a proton pump analyzed with computer simulations
- Author(s): Bondar, Ana-Nicoleta
- Smith, Jeremy C.
- Elstner, Marcus
- et al.
Published Web Locationhttps://doi.org/10.1007/s00214-009-0565-5
Understanding the mechanism of proton pumping requires a detailed description of the energetics and sequence of events associated with the proton transfers, and of how proton transfer couples to conformational rearrangements of the protein. Here, we discuss our recent advances in using computer simulations to understand how bacteriorhodopsin pumps protons. We emphasize the importance of accurately describing the retinal geometry and the location of water molecules.
Many UC-authored scholarly publications are freely available on this site because of the UC Academic Senate's Open Access Policy. Let us know how this access is important for you.