Martini metadynamics
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- Last Updated: Tuesday, 09 August 2016 12:45
Check out this paper, a nice example of how metadynamics can be combined with Martini for efficient sampling of protein-protein binding free energies:
M. Lelimousin, V. Limongelli, and M.S.P. Sansom. Conformational changes in the epidermal growth factor receptor: role of the transmembrane domain investigated by Coarse-Grained metadynamics free energy calculations. J. Am. Chem. Soc., Just Accepted. doi:10.1021/jacs.6b05602