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Title: Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study
Authors: Zhang, Dawei
Liu, Huihui
Cui, Jinglan
Keywords: Binding Energy
Issue Date: 2018
Source: Zhang, D., Liu, H., & Cui, J. (2018). Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study. Chemical Physics Letters, 691, 103-109.
Series/Report no.: Chemical Physics Letters
Abstract: In this work, molecular dynamics simulation and free energy calculations are utilized to study how different BH3 peptides originating from Bax, Bim, Bik and Noxa interact with Bcl-2, one of the main members of anti-apoptotic proteins. The effects of peptide length, sequence and helical content on the binding affinity are discussed, on which a novel BH3-like peptide is designed in silico with an improved binding property.
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2017.10.030
Rights: © 2017 Elsevier B.V. This is the author created version of a work that has been peer reviewed and accepted for publication by Chemical Physics Letters, Elsevier B.V. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [].
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:SPMS Journal Articles

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