Using multiple computer-predicted structures as molecular replacement models: application to the antiviral mini-protein LCB2

Using multiple computer-predicted structures as molecular replacement models: application to the antiviral mini-protein LCB2

In this report, we describe a set of structures of the engineered protein LCB2 that has been solved starting from different computer-predicted molecular replacement (MR) models. We found that AlphaFold3, AlphaFold2, MultiFOLD, Rosetta, RoseTTAFold and trRosetta all produced successful MR models for...

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Bibliographic Details
Main Authors: Svetlana A. Korban, Oleg Mikhailovskii, Vladislav V. Gurzhiy, Ivan S. Podkorytov, Nikolai R. Skrynnikov
Format: Article
Language:English
Published: International Union of Crystallography 2025-07-01
Series:IUCrJ
Subjects:
lcb2
molecular replacement
protein crystallography
computer-predicted structures
rotamers
side-chain conformations
multiconformer ensembles
Online Access:https://journals.iucr.org/paper?S2052252525005123
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https://journals.iucr.org/paper?S2052252525005123

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