Anna Jäckering

Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase

Lara Pfaff, Jian Gao, Zhishuai Li et al. · ACS Catalysis · 2022 · 180 citations · Full text

Life Sciences, Biochemistry, Biotechnology +17

Dataset of AMBER force field parameters of drugs, natural products and steroids for simulations using GROMACS

Jennifer Loschwitz, Anna Jäckering, Monika Keutmann et al. · Data in Brief · 2021 · 50 citations · Full text

Natural Sciences, Biophysics, Medicinal Chemistry +17

Novel inhibitors of the main protease enzyme of SARS-CoV-2 identified via molecular dynamics simulation-guided in vitro assay

Jennifer Loschwitz, Anna Jäckering, Monika Keutmann et al. · Bioorganic Chemistry · 2021 · 41 citations · Full text

Life Sciences, Biochemistry, Pharmacology +16

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

Anna Jäckering, Frederike Göttsch, Moritz Schäffler et al. · JACS Au · 2024 · 29 citations · Full text

Life Sciences, Biochemistry, Biotechnology +17

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 et al. · Journal of Chemical Information and Modeling · 2024 · 16 citations · Full text

Life Sciences, Biochemistry, Biotechnology +17