The use of chlorobenzene as a probe molecule in molecular dynamics simulations

The use of chlorobenzene as a probe molecule in molecular dynamics simulations

We map ligand binding sites on protein surfaces in molecular dynamics simulations using chlorobenzene as a probe molecule. The method was validated on four proteins. Two types of affinity maps that identified halogen and hydrophobic binding sites on proteins were obtained. Our method could prove use...

书目详细资料
Main Authors:	Tan, Yaw Sing, Spring, David R., Abell, Chris, Verma, Chandra
其他作者:	School of Biological Sciences
格式:	Journal Article
语言:	English
出版:	2015
主题:	DRNTU::Science::Biological sciences::Molecular biology
在线阅读:	https://hdl.handle.net/10356/106918 http://hdl.handle.net/10220/25192

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