Probing the dynamical interaction of the para-sulfonato-calix[4]arene with an antifungal protein

Physical Chemistry Chemical Physics（2023）

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摘要

The interaction of para-sulfonato-calix[4]arene with a small antifungal protein is analyzed by molecular dynamics simulations, corroborating the presence of two main binding sites at the protein surface.

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para-sulfonato-calix[

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