@misc{durr_predicting_2024,
	title = {Predicting metal-protein interactions using cofolding methods: {Status} quo},
	shorttitle = {Predicting metal-protein interactions using cofolding methods},
	doi = {10.1101/2024.05.28.596236},
	abstract = {},
	language = {en},
	urldate = {2024-08-29},
	author = {Dürr, Simon L. and Rothlisberger, Ursula},
	month = jun,
year = {2024},
}
@article{Drr2023,
  title = {Metal3D: a general deep learning framework for accurate metal ion location prediction in proteins},
  volume = {14},
  ISSN = {2041-1723},
  url = {http://dx.doi.org/10.1038/s41467-023-37870-6},
  number = {1},
pages = {},
  journal = {Nature Communications},
  publisher = {Springer Science and Business Media LLC},
  author = {D\"{u}rr,  Simon L. and Levy,  Andrea and Rothlisberger,  Ursula},
  year = {2023},
  month = may 
}
@article{Benitez2020,
author = {Benítez, Attabey R. and  D{\"{u}}rr, Simon L. and Narayan, Alison H.},
doi = {},
pages = {587-589},
issn = {0000-0000},
journal = {Trends in Chemistry},
volume={2},
title = {{The Role of Conserved Residues in the DEDDh Motif: the Proton-Transfer Mechanism of HIV-1 RNase H}},
url = {},
year = {2020},
url = {https://www.cell.com/trends/chemistry/fulltext/S2589-5974(20)30102-7},
}
@article{Ebert2016,
author = {Ebert, Maximilian C. C. J. C. and D{\"{u}}rr, Simon L. and {A. Houle}, Armande and Lamoureux, Guillaume and Pelletier, Joelle N.},
doi = {},
issn = {2155-5435},
journal = {ACS Catalysis},
keywords = {bm3,carbon monoxide,channels,cyp102a1,implicit ligand sampling,molecular dynamics simulations,oxygen,p450},
pages = {7426--7437},
volume={6},
title = {{Evolution of P450 Monooxygenases toward Formation of Transient Channels and Exclusion of Nonproductive Gases}},
url = {http://pubs.acs.org/doi/abs/10.1021/acscatal.6b02154},
year = {2016}
}
@article{Durr2019,
author = {D{\"{u}}rr, Simon L. and Bohuszewicz, Olga M. and Berta, Denes, Suardiaz, Reynier and Jambrina, Pablo G. and Peter, Christine and Shao, Yihan and Rosta, Edina},
doi = {},
pages = {7915–7927},
journal = {ACS Catalysis},
issn = {},
volume={11},
title = {{The Role of Conserved Residues in the DEDDh Motif: the Proton-Transfer Mechanism of HIV-1 RNase H}},
url = {https://pubs.acs.org/doi/10.1021/acscatal.1c01493},
year = {2021}
}
@article{Kropp2018,
author = {Kropp, Heike Maria and D{\"{u}}rr, Simon Leonard and Peter, Christine and Diederichs, Kay and Marx, Andreas},
doi = {},
issn = {0027-8424},
journal = {Proceedings of the National Academy of Sciences},
number = {40},
pages = {9992--9997},
pmid = {30224478},
title = {{Snapshots of a modified nucleotide moving through the confines of a DNA polymerase}},
url = {http://www.pnas.org/lookup/doi/10.1073/pnas.1811518115},
volume = {115},
year = {2018}
}
@article{Durr2022,
author = {D{\"{u}}rr, Simon L. and Levy Andrea. and Rothlisberger, Ursula},
doi = {10.1101/2022.08.22.504853},
pages = {},
journal = {BioRxiv},
issn = {},
volume={},
title = {{Accurate prediction of transition metal ion location via deep learning}},
url = {},
year = {2022}
}