Insight into Molecular Basis and Dynamics of Full-length CRaf Kinase in Cellular Signaling Mechanism
收藏DataCite Commons2024-07-31 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/2396898/
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资源简介：
This study presents the first large-scale simulation using an initial structure predicted by AI/ML algorithms for the 648-amino-acid CRaf kinase, which plays a key role in cellular signaling. Simulation results show the evolution of the predicted structure into much more compact structures with inter-domain interactions that shed insights into auto-inhibition mechanism, paradoxical effect, activation, and recruitment pathways in the CRaf kinase. Newly identified epitopes in the CRaf may suggest additional drug targets. The results were published in Biophysical Journal, DOI:10.1016/j.bpj.2024.06.028.
提供机构：
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
创建时间：
2024-07-31
