Molecular dynamics simulations of plutonium binding and its decorporation from the binding-cleft of human serum transferrin

被引：0
|
作者：
Lokpati Mishra
Mahesh Sundararajan
Tusar Bandyopadhyay
机构：
[1] Bhabha Atomic Research Centre,Radiation Safety Systems Division
[2] Homi Bhabha National Institute,Theoretical Chemistry Section
[3] Bhabha Atomic Research Centre,undefined
来源：
JBIC Journal of Biological Inorganic Chemistry | 2020年 / 25卷
关键词：
Pu(IV)-transferrin complex; MD simulation; Decorporating agents; Docking; Well-tempered metadynamics; Water bridge and hydrogen bond dynamics;
D O I：
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摘要：
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页码：213 / 231
页数：18
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