AlphaFold2-generated conformations overlap well with crystal structures of the open and closed state of GLIC.

<p>(A, B) Overlay of experimentally determined crystal structures in (A) the closed state (PDB ID 4NPQ) and (B) the open state (PDB ID 4HFI) with the corresponding prediction (visualized using VMD [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1013187#pcbi....

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محفوظ في:

التفاصيل البيبلوغرافية
المؤلف الرئيسي:	Samuel Eriksson Lidbrink (21616146) (author)
مؤلفون آخرون:	Rebecca J. Howard (14670459) (author), Nandan Haloi (14670453) (author), Erik Lindahl (10338) (author)
منشور في:	2025
الموضوعات:	Biophysics Biochemistry Computational Biology Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified markov state models machine learning algorithms also accurately sample sample multiple conformations open upon activation landscape requires understanding transition pathway resolved identify apparent closed angle neutron scattering protein &# 8217 alphafold </ p target environmental conditions activating conditions respectively weighted conformational ensemble combine af sampling angle scattering curves angle scattering target conditions activating conditions conformational landscape conformational ensemble stable conformations extensive sampling particular conditions transition pathways transition occurs predicted closed closed channels open states xlink "> without using structural information several strategies rigid proteins projects onto predicted basins membrane protein magnitude faster efficient way complete characterization
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AlphaFold2-generated conformations overlap well with crystal structures of the open and closed state of GLIC.

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