Substrate transport pathway inside outward open conformation of EmrD: a molecular dynamics simulation study

2016 ◽  
Vol 12 (8) ◽  
pp. 2634-2641 ◽  
Author(s):  
Tan Xianwei ◽  
Lu Diannan ◽  
Wang Boxiong
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Major Facilitator Superfamily ◽  
Dynamics Simulation ◽  
Transport Pathway ◽  
Substrate Transport ◽  
Drug Molecules ◽  
Open Conformation ◽  
Major Facilitator

The EmrD transporter, which is a classical major facilitator superfamily (MFS) protein, can extrude a range of drug molecules out ofE. coil.

Molecular dynamics simulation study of boron-nitride nanotubes as a drug carrier: from encapsulation to releasing

RSC Advances ◽  
2016 ◽  
Vol 6 (11) ◽  
pp. 9344-9351 ◽  
Author(s):  
Sara Roosta ◽  
Sousa Javan Nikkhah ◽  
Mehdi Sabzali ◽  
Seyed Majid Hashemianzadeh
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Boron Nitride ◽  
Simulation Study ◽  
Drug Carrier ◽  
Boron Nitride Nanotubes ◽  
Dynamics Simulation ◽  
Drug Molecules ◽  
Release Processes

Understanding the encapsulation and release processes of drug molecules using nanocarriers is vital for the development of nanoscale drug delivery.

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