Molecular mechanism and binding free energy of doxorubicin intercalation in DNA

The intercalation process of binding doxorubicin (DOX) in DNA is studied by extensive MD simulations. Many molecular factors that control the binding affinity of DOX to DNA to form a stable complex are inspected and quantified by employing continuum solvation models for estimating the binding free e...

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Bibliographic Details

Published in:	Physical chemistry chemical physics : PCCP Vol. 21; no. 7; p. 3877
Main Authors:	Jawad, Bahaa, Poudel, Lokendra, Podgornik, Rudolf, Steinmetz, Nicole F, Ching, Wai-Yim
Format:	Journal Article
Language:	English
Published:	England 13-02-2019
Subjects:	DNA - chemistry Doxorubicin - chemistry Intercalating Agents - chemistry Thermodynamics
Online Access:	Get more information
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