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Description

However, increased complexity may also be encoded at the protein level

10.1016/j.envres.2015.06.011 95

Blood 117 (17), 45694579 (2011)

2.6.7 MM/GBSA-based binding free energy calculation The binding free energies between the protein and ligand in all systems were calculated using the MM/GBSA (molecular mechanics/generalized Born surface area) method