AlphaFold2 modeling and molecular dynamics simulations of an intrinsically disordered protein

We use AlphaFold2 (AF2) to model the monomer and dimer structures of an intrinsically disordered protein (IDP), Nvjp-1, assisted by molecular dynamics (MD) simulations. We observe relatively rigid dimeric structures of Nvjp-1 when compared with the monomer structures. We suggest that protein conform...

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Veröffentlicht in:	PloS one 2024-05, Vol.19 (5), p.e0301866-e0301866
Hauptverfasser:	Guo, Hao-Bo, Huntington, Baxter, Perminov, Alexander, Smith, Kenya, Hastings, Nicholas, Dennis, Patrick, Kelley-Loughnane, Nancy, Berry, Rajiv
Format:	Artikel
Sprache:	eng
Schlagworte:	Biology and Life Sciences Intrinsically Disordered Proteins - chemistry Intrinsically Disordered Proteins - metabolism Molecular dynamics Molecular Dynamics Simulation Monomers Phylogenetics Physical Sciences Protein Conformation Protein Folding Protein Multimerization Proteins Residues Simulation Simulation methods
Online-Zugang:	Volltext
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