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Keywords: molecular modeling
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Articles
Biological and mutational analyses of CXCR4–antagonist interactions and design of new antagonistic analogs
Open AccessQian Meng, Ruohan Zhu, Yujia Mao, Siyu Zhu, Yi Wu, Lina S.M. Huang, Aaron Ciechanover, Jing An, Yan Xu, Ziwei Huang
Journal:
Bioscience Reports
Biosci Rep (2023) 43 (12): BSR20230981.
Published: 22 December 2023
... peptides, and small molecules. The results were rationalized by molecular modeling of CXCR4–antagonist interactions from which the common as well as different receptor binding sites of these antagonists were derived, revealing a number of important residues such as W94, D97, H113, D171, D262, and E288...
Includes: Supplementary data
Articles
Almudena Ponce-Salvatierra, Astha, Katarzyna Merdas, Chandran Nithin, Pritha Ghosh, Sunandan Mukherjee, Janusz M. Bujnicki
Journal:
Bioscience Reports
Biosci Rep (2019) 39 (2): BSR20180430.
Published: 08 February 2019
... 2019 © 2019 The Author(s). 2019 This is an open access article published by Portland Press Limited on behalf of the Biochemical Society and distributed under the Creative Commons Attribution License 4.0 (CC BY) . computational biochemistry integrative modeling molecular modeling RNA...
