Markov State Models and Molecular Dynamics Simulations Provide Understanding of the Nucleotide-Dependent Dimerization-Based Activation of LRRK2 ROC Domain

Markov State Models and Molecular Dynamics Simulations Provide Understanding of the Nucleotide-Dependent Dimerization-Based Activation of LRRK2 ROC Domain

Mutations in leucine-rich repeat kinase 2 (LRRK2) are recognized as the most frequent cause of Parkinson’s disease (PD). As a multidomain ROCO protein, LRRK2 is characterized by the presence of both a Ras-of-complex (ROC) GTPase domain and a kinase domain connected through the C-terminal of an ROC d...

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Bibliographic Details
Main Authors: Xinyi Li, Zengxin Qi, Duan Ni, Shaoyong Lu, Liang Chen, Xiangyu Chen
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Molecules
Subjects:
Parkinson’s disease
leucine-rich repeat kinase 2 (LRRK2)
Ras-of-complex GTPase domain
molecular dynamics (MD) simulations
Markov state models
network analysis
Online Access:https://www.mdpi.com/1420-3049/26/18/5647

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https://www.mdpi.com/1420-3049/26/18/5647

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