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MM/PBSA or MM/GBSA with Martini Simulations
- loklui
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4 years 11 months ago #8096
by loklui
MM/PBSA or MM/GBSA with Martini Simulations was created 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
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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- xavier
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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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