Hi all,
This might sound really basic. But I wanted to get more intuitive/conceptual understanding of the equation in the attached file.
1) is delt G _bind,solv the free energy required for the ligand binding in solvent? Or is this some sort of solvation energy?
2) Either way, I am trying to make sense of how the equation makes sense. Can you please conceptually explain how delt G_bind,solv is defiend as shown?
(e.g How is it that the free energy of the ligand binding in vacuum a part of the delt G_bind,solv? How about the other three terms?)
Cece
(reference: http://ambermd.org/tutorials/advanced/tutorial3/)
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