ESPs of fluoroquinolone antibiotics - directly after crystallographic refinement

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Why is it important?

Invariom refinement can provide selected molecular properties like the electrostatic potential (ESP) in an accuracy comparable to quantum chemical calculations without the need to perform one. Molecular electron density is reconstructed from transferable fragments. Fluoroquinolones studied show how the ESP is very similar for the same ionization state throughout the whole series of these antibiotics. This provides guidance for understanding the activity of other (possibly new) fluoroquinolone antibiotics.

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