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Multiresolution molecular dynamics simulations reveal the interplay between conformational variability and functional interactions in membrane-bound cytochrome P450 2B4
by Han, Sungho Bosco (Author)
, Teuffel, Jonathan (Author)
, Mukherjee, Goutam (Author)
, Wade, Rebecca C. (Author)
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Protein science, 33 (2024), 10, Artikel-ID e5165, Seite e5165-1-e5165-23
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Center for Molecular Biology Heidelberg
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Han, Sungho Bosco
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Mukherjee, Goutam
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Teuffel, Jonathan
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coarse-grained simulation
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cytochrome P450 2B4
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enzyme catalysis
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ligand tunnels
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membrane protein
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molecular dynamics simulation
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protein dynamics
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protein-ligand interactions
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transient binding pocket
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