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• W2032252017 abstract "The physiological role of recently discovered human neuroglobin (Ngb) is still unknown. Sound hypothesis says that it protects brain during hypoxia. In this paper the advanced potential of mean force by implicit ligand sampling (PMF/ILS) method is used to study the free energy landscape of Ngb for O2, NO and CO ligands. The multiple diffusion paths are discovered and four ligand binding cavities are determined. The data show that certain regions are easily accessible by O2 and NO but are protected from CO. Free energy landscapes provide realistic data for stochastic models of ligand diffusion in proteins." @default.
• W2032252017 created "2016-06-24" @default.
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• W2032252017 creator A5054152314 @default.
• W2032252017 date "2008-12-01" @default.
• W2032252017 modified "2023-10-18" @default.
• W2032252017 title "Topology and thermodynamics of gaseous ligands diffusion paths in human neuroglobin" @default.
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• W2032252017 doi "https://doi.org/10.1016/j.biosystems.2008.04.016" @default.
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