Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study

Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study

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 th...

Full description

Saved in:
Bibliographic Details
Main Authors: Zhang, Dawei, Liu, Huihui, Cui, Jinglan
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2018
Subjects:
Binding Energy
Peptides
Online Access:https://hdl.handle.net/10356/87743
http://hdl.handle.net/10220/45473
Tags: Add Tag
No Tags, Be the first to tag this record!
Institution: Nanyang Technological University
Language: English
id sg-ntu-dr.10356-87743
record_format dspace
spelling sg-ntu-dr.10356-877432023-02-28T19:34:53Z Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study Zhang, Dawei Liu, Huihui Cui, Jinglan School of Physical and Mathematical Sciences Binding Energy Peptides 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. Accepted version 2018-08-06T06:10:10Z 2019-12-06T16:48:29Z 2018-08-06T06:10:10Z 2019-12-06T16:48:29Z 2018 Journal Article 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. 0009-2614 https://hdl.handle.net/10356/87743 http://hdl.handle.net/10220/45473 10.1016/j.cplett.2017.10.030 en Chemical Physics Letters © 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: [http://dx.doi.org/10.1016/j.cplett.2017.10.030]. 9 p. application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Binding Energy
Peptides
spellingShingle Binding Energy
Peptides
Zhang, Dawei
Liu, Huihui
Cui, Jinglan
Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study
description 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.
author2 School of Physical and Mathematical Sciences
author_facet School of Physical and Mathematical Sciences
Zhang, Dawei
Liu, Huihui
Cui, Jinglan
format Article
author Zhang, Dawei
Liu, Huihui
Cui, Jinglan
author_sort Zhang, Dawei
title Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study
title_short Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study
title_full Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study
title_fullStr Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study
title_full_unstemmed Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study
title_sort binding of anti-apoptotic bcl-2 with different bh3 peptides : a molecular dynamics study
publishDate 2018
url https://hdl.handle.net/10356/87743
http://hdl.handle.net/10220/45473
_version_ 1759855158422929408

Similar Items