A Molecular Dynamics Simulation of the Human Lysozyme–Camelid VHH HL6 Antibody System

CNU IR > College of Smart Living > Dept. of Information Management > Periodical Articles > Item 310902800/22606

Please use this identifier to cite or link to this item: https://ir.cnu.edu.tw/handle/310902800/22606

Title:	A Molecular Dynamics Simulation of the Human Lysozyme–Camelid VHH HL6 Antibody System
Authors:	Zhi-Yuan Su Yeng-Tseng Wang
Contributors:	資訊管理系
Keywords:	Molecular dynamics amyloid diseases lysozyme atomic force microscopy
Date:	2009-04
Issue Date:	2010-04-13 14:16:03 (UTC+8)
Abstract:	Amyloid diseases such as Alzheimer’s and thrombosis are characterized by an aberrant assembly of specific proteins or protein fragments into fibrils and plaques that are deposited in various tissues and organs. The single-domain fragment of a camelid antibody was reported to be able to combat against wild-type human lysozyme for inhibiting in-vitro aggregations of the amyloidogenic variant (D67H). The present study is aimed at elucidating the unbinding mechanics between the D67H lysozyme and VHH HL6 antibody fragment by using steered molecular dynamics (SMD) simulations on a nanosecond scale with different pulling velocities. The results of the simulation indicated that stretching forces of more than two nano Newton (nN) were required to dissociate the proteinantibody system, and the hydrogen bond dissociation pathways were computed.
Relation:	International Journal of Molecular Sciences 10(4)：p.1719-1727
Appears in Collections:	[Dept. of Information Management] Periodical Articles

Files in This Item:

File	Description	Size	Format
A Molecular Dynamics Simulation of the Human Lysozyme–Camelid VHH HL6 Antibody System .pdf	A Molecular Dynamics Simulation of the Human Lysozyme–Camelid VHH HL6 Antibody System	396Kb	Adobe PDF	1169	View/Open