Computationally Efficient Yet Quantitatively Accurate Scaled MP2 Protocols for the Prediction of Weak Interaction Energies in Complex Biological Systems.

ACS Omega · 2025 · PMC12409536 · PMID 40918360

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showed a trendno p-value reported

Notably, the best-performing DFAsB97M-V and ωB97X-D3satisfy the UEG limit, unlike ωB97X-V and ωB97M-V, which may partly explain their improved performance. One may observe that the RMSD metric showed a trend consistent with MAD.

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