AlphaFold-SFA: Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery...
AlphaFold-SFA: Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics
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Publisher
United States: Public Library of Science
Journal title
Language
English
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Publisher
United States: Public Library of Science
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Scope and Contents
Contents
Sampling rare events in proteins is crucial for comprehending complex phenomena like cryptic pocket opening, where transient structural changes expose new binding sites. Understanding these rare events also sheds light on protein-ligand binding and allosteric communications, where distant site interactions influence protein function. Traditional un...
Alternative Titles
Full title
AlphaFold-SFA: Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics
Authors, Artists and Contributors
Author / Creator
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TN_cdi_plos_journals_3097788420
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_plos_journals_3097788420
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ISSN
1932-6203
E-ISSN
1932-6203
DOI
10.1371/journal.pone.0307226
