A molecular dynamics protocol for rapid prediction of EGFR overactivation and its application to the rare mutations S768I, S768N, D761N

A molecular dynamics protocol for rapid prediction of EGFR overactivation and its application to the rare mutations S768I, S768N, D761N

Hyperactivation caused by mutations in the Epidermal Growth Factor Receptor (EGFR) kinase domain is implicated in various diseases, including cancer. However, the structural mechanisms underlying overactivation in many EGFR mutations remain poorly understood, and exploring these mechanisms through c...

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Bibliographic Details
Main Authors: Julian Behn, R.N.V. Krishna Deepak, Jiancheng Hu, Hao Fan
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Kinase
Epidermal growth factor receptor
Asymmetric dimer
Symmetric dimer
Cancer mutations
Molecular dynamics simulation
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037025003095
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