doi: 10.3389/fphar.2023.1077228
Binding free energy calculation Among the various available approaches for binding free energy predictions, the molecular mechanics generalized Born surface area (MM/GBSA) method has been suggested to provide the rational results 54,55
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Choi MK, Jin S, Jeon JH, Kang WY, Seong SJ, Yoon YR, et al