Stefan Gahbauer

发表

Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

A. Ashworth, J. Irwin, B. Shoichet, 2020, Science Advances.

Structure-based inhibitor optimization for the Nsp3 Macrodomain of SARS-CoV-2

Yurii S. Moroz, J. Irwin, B. Shoichet, 2022, bioRxiv.

The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature

J. Holton, A. Cohen, J. Fraser, 2022, Science advances.

Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors

Yurii S. Moroz, J. Irwin, B. Shoichet, 2022, bioRxiv.

Structure-based discovery of nonopioid analgesics acting through the α2A-adrenergic receptor

Yurii S. Moroz, J. Irwin, B. Shoichet, 2022, Science.

Oxidative Stress-Induced STIM2 Cysteine Modiﬁcations Suppress Store-Operated Calcium Entry

M. Hediger, R. Böckmann, M. Hoth, 2022 .

Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2

Yurii S. Moroz, J. Irwin, B. Shoichet, 2022, bioRxiv.

Oxidative Stress-Induced STIM2 Cysteine Modifications Suppress Store-Operated Calcium Entry.

M. Hediger, R. Böckmann, M. Hoth, 2020, Cell reports.

Membrane-Mediated Oligomerization of G Protein Coupled Receptors and Its Implications for GPCR Function

R. Böckmann, Stefan Gahbauer, Stefan Gahbauer, 2016, Front. Physiol..

A practical guide to large-scale docking

Reed M. Stein, J. Irwin, B. Shoichet, 2021, Nature Protocols.

Closely related, yet unique: Distinct homo- and heterodimerization patterns of G protein coupled chemokine receptors and their fine-tuning by cholesterol

Kristyna Pluhackova, Stefan Gahbauer, Rainer A. Böckmann, 2018, PLoS Comput. Biol..

Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

A. Ashworth, J. Irwin, B. Shoichet, 2021, Science Advances.

Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2

Yurii S. Moroz, J. Irwin, B. Shoichet, 2023, Proceedings of the National Academy of Sciences of the United States of America.

The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and X-ray diffraction at room temperature

A. Ashworth, J. Holton, A. Cohen, 2022, bioRxiv.

Comprehensive Characterization of Lipid-Guided G Protein-Coupled Receptor Dimerization.

R. Böckmann, Stefan Gahbauer, Stefan Gahbauer, 2020, The journal of physical chemistry. B.

Dynamic Cholesterol-Conditioned Dimerization of the G Protein Coupled Chemokine Receptor Type 4

Tsjerk A. Wassenaar, Kristyna Pluhackova, Stefan Gahbauer, 2016, PLoS Comput. Biol..

Large library docking for novel SARS‐CoV‐2 main protease non‐covalent and covalent inhibitors

Yurii S. Moroz, J. Irwin, B. Shoichet, 2023, Protein science : a publication of the Protein Society.