Martini 2.3 featuring cation-π interactions
- Last Updated: Monday, 09 March 2020 12:55
Check out this improved version of Martini, now able to represent cation-π interactions and allowing a much more realistic binding of peripheral membrane proteins. The version is coined 2.3, but should not be confused with the forthcoming release of Martini 3 which concerns a thorough recalibration of the full interaction matrix. For details, see:
H.M. Khan et al., Capturing choline-aromatics cation-π interactions in the MARTINI force field, JCTC, 2020. doi.org/10.1021/acs.jctc.9b01194
The new parameter definitions can be downloaded here.