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Works (7)

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

JACS Au
2024-10-28 | Journal article
DOI: 10.1021/jacsau.4c00718
Contributors: Anna Jäckering; Frederike Göttsch; Moritz Schäffler; Mark Doerr; Uwe T. Bornscheuer; Ren Wei; Birgit Strodel
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Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations

Journal of Chemical Information and Modeling
2024-10-14 | Journal article
DOI: 10.1021/acs.jcim.4c00776
Contributors: Anna Jäckering; Marc van der Kamp; Birgit Strodel; Kirill Zinovjev
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Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations

2024-04-30 | Preprint
DOI: 10.1101/2024.04.30.591886
Contributors: Anna Jäckering; Marc van der Kamp; Birgit Strodel; Kirill Zinovjev
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From Bulk to Binding: Decoding the Entry of PET into Hydrolase Binding Pockets

2024-04-21 | Preprint
DOI: 10.1101/2024.04.21.590457
Contributors: Anna Jäckering; Frederike Göttsch; Moritz Schäffler; Mark Doerr; Uwe T. Bornscheuer; Ren Wei; Birgit Strodel
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Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase

ACS Catalysis
2022-08-05 | Journal article
DOI: 10.1021/acscatal.2c02275
Contributors: Lara Pfaff; Jian Gao; Zhishuai Li; Anna Jäckering; Gert Weber; Jan Mican; Yinping Chen; Weiliang Dong; Xu Han; Christian G. Feiler et al.
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Novel Inhibitors of the Main Protease of SARS-CoV-2 Identified via a Molecular Dynamics Simulation-Guided in Vitro Assay

2020-11-09 | Other
DOI: 10.26434/chemrxiv.13200281
Contributors: Jennifer Loschwitz; Anna Jäckering; Monika Keutmann; Maryam Olagunju; Raphael J. Eberle; Monika A. Coronado; Olujide O. Olubiyi; Birgit Strodel
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Novel Inhibitors of the Main Protease of SARS-CoV-2 Identified via a Molecular Dynamics Simulation-Guided in Vitro Assay

2020-11-09 | Other
DOI: 10.26434/chemrxiv.13200281.v1
Contributors: Jennifer Loschwitz; Anna Jäckering; Monika Keutmann; Maryam Olagunju; Raphael J. Eberle; Monika A. Coronado; Olujide O. Olubiyi; Birgit Strodel
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