Summary of Molecular Mechanics Generalized-Born Surface Area (MM-GBSA) Calculations.
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https://figshare.com/articles/dataset/Summary_of_Molecular_Mechanics_Generalized-Born_Surface_Area_MM-GBSA_Calculations_/28832984
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The estimated free energies were decomposed to evaluate the total binding free energy components for the interaction between the two most likely docking structures of the designed Nb Ab 2 and SARS-CoV-2 RBD based on cluster size (model 0) and cluster energy (model 7)
创建时间：
2025-04-21
