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Excitation energies of a water-bridged twisted retinal structure in the bacteriorhodopsin proton pump: a theoretical investigation.
| Content Provider | Semantic Scholar |
|---|---|
| Author | Wolter, Tino Welke, Kai Phatak, Prasad Vishwas Bondar, Ana-Nicoleta Elstner, Marcus |
| Copyright Year | 2013 |
| Abstract | The first proton transfer in the bacteriorhodopsin photocycle takes place during the L → M transition. Structural details of the pre proton transfer L intermediate have been investigated using experiments and computations. Here, we assess L-state structural models by performing hybrid quantum mechanical/molecular mechanical molecular dynamics and excitation energy calculations. The computations suggest that a water-bridged twisted retinal structure gives the closest agreement with the experimental L/bR shift in the excitation energy. |
| Starting Page | p315 |
| Ending Page | p316 |
| Page Count | 1 |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://www.diss.fu-berlin.de/docs/servlets/MCRFileNodeServlet/FUDOCS_derivate_000000004312/c3cp44280b.pdf;hosts= |
| PubMed reference number | 23779103v1 |
| Alternate Webpage(s) | https://doi.org/10.1039/c3cp44280b |
| DOI | 10.1039/c3cp44280b |
| Journal | Physical chemistry chemical physics : PCCP |
| Volume Number | 15 |
| Issue Number | 30 |
| Language | English |
| Access Restriction | Open |
| Subject Keyword | Bacteriorhodopsins Energy, Physics Excitation Molecular Dynamics Protons Retinaldehyde |
| Content Type | Text |
| Resource Type | Article |
