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MMGBSA Study Group
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Hayes2012MM-GB(PB)SA_37 #11

Open cramg opened 3 years ago

cramg commented 3 years ago

Hayes, Joseph M., and Georgios Archontis. "MM-GB (PB) SA calculations of protein-ligand binding free energies." Molecular Dynamics-Studies of Synthetic and Biological Macromolecules (2012): 171-190

cramg commented 3 years ago

Hayes and Archontis exposed, in a careful way, how MM-GB(PB)SA calculations of Protein-Ligand are made. They decompose every equations involved and explain each of its component.

I consider it relevant to have a conversation about the equations shown in order to make them clear.

dprada commented 3 years ago

Of course, let's schedule a meeting. [Following this in slack]