Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking
2021 · Science Advances · 202 citations
https://doi.org/10.1126/sciadv.abf8711
M
M. Schuller
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M. Schuller is an academic researcher from University of Oxford. The author has contributed to research in topics: Machine Learning in Materials Science & X-ray Diffraction in Crystallography & Mass Spectrometry Techniques and Applications. The author has an h-index of 16, co-authored 155 publications.
ORCID: 0000-0002-1551-0359Papers by this author
worksIterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2
2023 · Proceedings of the National Academy of Sciences · 122 citations
https://doi.org/10.1073/pnas.2212931120
Modular antibodies reveal DNA damage-induced mono-ADP-ribosylation as a second wave of PARP1 signaling
2023 · Molecular Cell · 67 citations
https://doi.org/10.1016/j.molcel.2023.03.027
Exploring protein hotspots by optimized fragment pharmacophores
2021 · Nature Communications · 57 citations
https://doi.org/10.1038/s41467-021-23443-y
Discovery of a novel allosteric inhibitor scaffold for polyadenosine-diphosphate-ribose polymerase 14 (PARP14) macrodomain 2
2018 · Bioorganic & Medicinal Chemistry · 30 citations
https://doi.org/10.1016/j.bmc.2018.03.020
Streptomyces coelicolor macrodomain hydrolase SCO6735 cleaves thymidine-linked ADP-ribosylation of DNA
2022 · Computational and Structural Biotechnology Journal · 5 citations
https://doi.org/10.1016/j.csbj.2022.08.002
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