normal MM/PBSA or MM/GBSA with Martini Simulations

  • loklui
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4 years 11 months ago #8096 by loklui
Hi Martini Users,

Is there a way to use MM/PBSA or MM/GBSA with martini simulations to measure binding energies in protein-ligand complexes.

Thanks in advance.

Lok

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4 years 10 months ago #8134 by xavier
Replied by xavier on topic MM/PBSA or MM/GBSA with Martini Simulations
Not that I know ... you'd have to define the parameters used in MM/XBSA corresponding to the martini beads ... it might be not so complicated actually ... do you know the parameters that are needed?

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