pH‐Dependent Assembly and Stability of Toll‐Like Receptor 3/dsRNA Signaling Complex: Insights from Constant pH Molecular Dynamics and Metadynamics Simulations

pH‐Dependent Assembly and Stability of Toll‐Like Receptor 3/dsRNA Signaling Complex: Insights from Constant pH Molecular Dynamics and Metadynamics Simulations

Abstract The pH‐dependent assembly of Toll‐like receptors (TLRs), which triggers a threshold‐like response, is a key principle in immune signaling. While crystallography has revealed the intricate structure of these assembly complexes, the mechanisms underlying their pH dependency remain unclear. He...

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Bibliographic Details
Main Authors: Penghui Li, Mingsong Shi, Yibo Wang, Qiong Liu, Xiubo Du, Xiaohui Wang
Format: Article
Language:English
Published: Wiley 2025-01-01
Series:Advanced Science
Subjects:
cation‐π Interaction
double strand RNA
molecular dynamics simulations
molecular recognition
Toll‐like receptor 3 (TLR3)
Online Access:https://doi.org/10.1002/advs.202411445
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