MM/GBSA binding free energy components (kcal/mol) for each protein–ligand complex. Values are mean ± SD from 50 ns of the MD simulations. More negative ΔTOTAL values indicate a stronger binding affinity.
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MM/GBSA binding free energy components (kcal/mol) for each protein–ligand complex. Values are mean ± SD from 50 ns of the MD simulations. More negative ΔTOTAL values indicate a stronger binding affinity.
创建时间：
2026-02-20
