Application of per-Residue Energy Decomposition to Design Peptide Inhibitors of PSD95 GK Domain

Application of per-Residue Energy Decomposition to Design Peptide Inhibitors of PSD95 GK Domain

Specific interaction between the postsynaptic density protein 95 (PSD95) and synapse-associated protein 90/postsynaptic density 95–associated protein (SAPAP) is crucial for excitatory synaptic development and plasticity. Designing inhibitors that target the guanylate kinase (GK) domain of PSD95, whi...

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Bibliographic Details
Main Authors: Miao Tian, Hongwei Li, Xiao Yan, Jing Gu, Pengfei Zheng, Sulan Luo, Dongting Zhangsun, Qiong Chen, Qin Ouyang
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-03-01
Series:Frontiers in Molecular Biosciences
Subjects:
PSD95 GK
peptides
molecular dynamics simulation
energy decomposition
MM-GBSA
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2022.848353/full

Internet

https://www.frontiersin.org/articles/10.3389/fmolb.2022.848353/full

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