A stepwise docking molecular dynamics approach for simulating antibody recognition with substantial conformational changes

A stepwise docking molecular dynamics approach for simulating antibody recognition with substantial conformational changes

Conformational changes or rearrangements are common events during inter-biomolecular recognition. Tracking these changes are essential for exploring the allosteric mechanism and it is usually achieved by molecular dynamics simulation in silico. We previously identified a broad-neutralizing antibody...

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Bibliographic Details
Main Authors: Yang Huang, Zizhen Li, Qiyang Hong, Lizhi Zhou, Yue Ma, Yisha Hu, Jiabao Xin, Tingting Li, Zhibo Kong, Qingbing Zheng, Yixin Chen, Qinjian Zhao, Ying Gu, Jun Zhang, Yingbin Wang, Hai Yu, Shaowei Li, Ningshao Xia
Format: Article
Language:English
Published: Elsevier 2022-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Molecular dynamics
Stepwise docking
Conformational rearrangement
Antibody recognition
H5 broad-neutralizing antibody
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037022000198

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http://www.sciencedirect.com/science/article/pii/S2001037022000198

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