The Observation of Ligand-Binding-Relevant Open States of Fatty Acid Binding Protein by Molecular Dynamics Simulations and a Markov State Model

The Observation of Ligand-Binding-Relevant Open States of Fatty Acid Binding Protein by Molecular Dynamics Simulations and a Markov State Model

As a member of the fatty acids transporter family, the heart fatty acid binding proteins (HFABPs) are responsible for many important biological activities. The binding mechanism of fatty acid with FABP is critical to the understanding of FABP functions. The uncovering of binding-relevant intermediat...

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Bibliographic Details
Main Authors: Yue Guo, Mojie Duan, Minghui Yang
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:International Journal of Molecular Sciences
Subjects:
fatty acid binding protein
invisible intermediate states
transition time
binding mechanism
molecular dynamics simulation
Online Access:https://www.mdpi.com/1422-0067/20/14/3476

Internet

https://www.mdpi.com/1422-0067/20/14/3476

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