Author

Anna Jäckering

Forschungszentrum JülichORCID 0000-0003-0031-159XUnclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Biochemistry· 1 Bioengineering· 1

Signature Assays, Organisms & Methods

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Approach:statistical model· 2 Approach:deep learning· 1 Research Focus:protein folding & dynamics· 1

Frequent Co-Authors

Birgit StrodeliD· 2 shared Frederike GöttschiD· 1 shared Kirill ZinovjeviD· 1 shared Marc W. van der KampiD· 1 shared Mark DoerriD· 1 shared Moritz SchäffleriD· 1 shared Ren WeiiD· 1 shared Uwe T. BornscheueriD· 1 shared

Activity by Year

2024-2024 · peak 2/yr

Co-Author Collaboration Network

8 top collaborators · 18 mutual co-author links

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2 shared papersBiochemistry

Birgit StrodelORCID

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2 papers

Recent·Most cited

BiochemistryJournal of Chemical Information and ModelingPeer-reviewedSep 30, 2024

Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations

Anna Jäckering, Marc W. van der Kamp, Birgit Strodel, Kirill Zinovjev

This study uses QM/MM simulations to analyze PET degradation mechanisms in PET hydrolases, revealing conformational changes and the impact of QM methods on reaction pathways.

22 citations

statistical model

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BioengineeringJACS AuPeer-reviewedSep 26, 2024

From Bulk to Binding: Decoding the Entry of PET into Hydrolase Binding Pockets

Anna Jäckering, Frederike Göttsch, Moritz Schäffler…·Birgit Strodel

The paper uses molecular dynamics simulations to uncover the binding pathway of PET hydrolases into PET material and identifies key residues affecting PET entry.

34 citationstop 4%

deep learningstatistical model

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