"Combined quantum mechanics/molecular mechanics (QM/MM) methods to understand the charge density distribution of estrogens in the active site of estrogen receptors"

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Combined quantum mechanics/molecular mechanics (QM/MM) methods to understand the charge density distribution of estrogens in the active site of estrogen receptors

The ligand binding to protein and host–guest interactions are ubiquitous for molecular recognition. Click to show full abstract

The ligand binding to protein and host–guest interactions are ubiquitous for molecular recognition.

Keywords: molecular mechanics; mechanics molecular; quantum mechanics; mechanics methods; mechanics; combined quantum

Journal Title: RSC Advances
Year Published: 2019

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