Publications
@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} }