Insight into the key interactions of bromodomain inhibitors based on molecular docking, interaction fingerprinting, molecular dynamics and binding free energy calculation1. Issue 5 (21st May 2015)

• Record Type: Journal Article
• Authors: Ran, Ting; Zhang, Zhimin; Liu, Kejun; Lu, Yi; Li, Huifang; Xu, Jinxing; Xiong, Xiao; Zhang, Yanmin; Xu, Anyang; Lu, Shuai; Liu, Haichun; Lu, Tao; Chen, Yadong
• Is Part Of: Molecular bioSystems. Volume 11:Issue 5(2015:May)
• Page Start: 1295
• Page End: 1304
• Publication Date: 2015-05-21
• Subjects: Molecular biology -- Periodicals; Biochemistry -- Periodicals; 571.7405
• DOI: 10.1039/c4mb00723a
• Languages: English
• ISSNs: 1742-206X

Abstract

<abstract abstract-type="toc"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <graphic position="anchor" id="ga" xlink:href="ark:/27927/pgjn2jft5j" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />The interaction mechanism of bromodomain inhibitors was investigated using interaction fingerprinting and binding free energy based methods.</p> </abstract>