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
[DOI] [PMC free article] [PubMed] [Google Scholar] Ilbeigi D, Nourbakhsh M, Pasalar P, Meshkani R, Shokri Afra H, Panahi GH, et al
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