Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design

Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design

Ion channels are expressed in almost all living cells, controlling the in-and-out communications, making them ideal drug targets, especially for central nervous system diseases. However, owing to their dynamic nature and the presence of a membrane environment, ion channels remain difficult targets f...

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Bibliographic Details
Main Authors: Zhengdan Zhu, Zhenfeng Deng, Qinrui Wang, Yuhang Wang, Duo Zhang, Ruihan Xu, Lvjun Guo, Han Wen
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-06-01
Series:Frontiers in Pharmacology
Subjects:
ion channel
cryo-EM
machine learning
molecular dynamics
computer-aided drug design
Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2022.939555/full

Internet

https://www.frontiersin.org/articles/10.3389/fphar.2022.939555/full

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