A General Picture of Cucurbit[8]uril Host-Guest Binding: Recalibrating Bonded Interactions.

Molecules · 2023 · PMC10095826 · PMID 37049887

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quite significantno p-value reported

However, the conformational dependence of the RESP charge scheme is quite significant, while the AM1-BCC charge scheme is more mean-field-like and provides similar results for different charge-generation configurations.

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