Quality Evaluation Based Simulation Selection (QEBSS) for analysis of conformational ensembles and dynamics of multidomain proteins

Abstract Multidomain proteins containing both folded and intrinsically disordered regions are crucial for biological processes, but characterizing their conformational ensembles and dynamics remains challenging. We introduce the Quality Evaluation Based Simulation Selection (QEBSS) protocol, which c...

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Bibliographic Details
Main Authors: Amanda E. Sandelin, Ricky Nencini, Ekrem Yasar, Satoshi Fudo, Vassilis Stratoulias, Tommi Kajander, O. H. Samuli Ollila
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-025-01623-x
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