Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA

Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA

DNA is the target of chemical compounds (drugs, pollutants, photosensitizers, etc.), which bind through non-covalent interactions. Depending on their structure and their chemical properties, DNA binders can associate to the minor or to the major groove of double-stranded DNA. They can also intercala...

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Bibliographic Details
Main Authors: Hong Zhang, Hugo Gattuso, Elise Dumont, Wensheng Cai, Antonio Monari, Christophe Chipot, François Dehez
Format: Article
Language:English
Published: MDPI AG 2018-01-01
Series:Molecules
Subjects:
binding free energy
DNA sensitization
netropsin
all-atom molecular dynamics
minor-groove binder
Online Access:http://www.mdpi.com/1420-3049/23/2/228

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