Exploring Large Domain Motions in Proteins Using Atomistic Molecular Dynamics with Enhanced Conformational Sampling

Conformational transitions in multidomain proteins are essential for biological functions. The Apo conformations are typically open and flexible, while the Holo states form more compact conformations stabilized by protein-ligand interactions. Unfortunately, the atomically detailed mechanisms for suc...

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Detalles Bibliográficos
Autores principales: Dokainish, Hisham M., Sugita, Yuji
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7796230/
https://www.ncbi.nlm.nih.gov/pubmed/33383937
http://dx.doi.org/10.3390/ijms22010270

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7796230/
https://www.ncbi.nlm.nih.gov/pubmed/33383937
http://dx.doi.org/10.3390/ijms22010270

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