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- Title
Retinal release from opsin in molecular dynamics simulations.
- Authors
Wang, Ting; Duan, Yong
- Abstract
The article discusses the simulation of the exit process of all-trans-retinal from the ligand-free opsin structure by the classical molecular dynamics (MD) and random acceleration molecular dynamics (RAMD).The results suggest that the opening between transmembrame (TM) helices TM5 and TM6 is likely the all-trans-retinal release gate while the TM1-TM7 opening serves as the uptake gate of 11-cis-retinal. The implications of the results for rhodopsin mutants' disease mechanisms are also explored.
- Subjects
OPSINS; RETINAL (Visual pigment); MOLECULAR dynamics; MOLECULAR recognition; MOLECULES
- Publication
Journal of Molecular Recognition, 2011, Vol 24, Issue 2, p350
- ISSN
0952-3499
- Publication type
Article
- DOI
10.1002/jmr.1087