Sebastian Böcker

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 23

Top Topics

Mass Spectrometry

Gas Chromatography

Ultra High Performance Liquid Chromatography

Top Venues

Nature biotechnology

Journal of proteome research

This page only lists publications with an associated author ORCID identifier.

Publications

Fleming Kretschmer, Eva-Maria Harrieder, Martin A Hoffmann, Sebastian Böcker, Michael Witting
RepoRT: a comprehensive repository for small molecule retention times. Nature methods (2024)
Fleming Kretschmer, Eva-Maria Harrieder, Martin A Hoffmann, Sebastian Böcker, Michael Witting
RepoRT: a comprehensive repository for small molecule retention times. Nature methods 21 (2) (2024)
Fleming Kretschmer, Eva-Maria Harrieder, Martin A Hoffmann, Sebastian Böcker, Michael Witting
RepoRT: a comprehensive repository for small molecule retention times. Nature methods 21 (2) (2024)
Martin A Hoffmann, Fleming Kretschmer, Marcus Ludwig, Sebastian Böcker
MAD HATTER Correctly Annotates 98% of Small Molecule Tandem Mass Spectra Searching in PubChem. Metabolites 13 (3) (2023)
Martin A Hoffmann, Fleming Kretschmer, Marcus Ludwig, Sebastian Böcker
MAD HATTER Correctly Annotates 98% of Small Molecule Tandem Mass Spectra Searching in PubChem. Metabolites 13 (3) (2023)
Martin A Hoffmann, Fleming Kretschmer, Marcus Ludwig, Sebastian Böcker
MAD HATTER Correctly Annotates 98% of Small Molecule Tandem Mass Spectra Searching in PubChem. Metabolites 13 (3) (2023)
Robin Schmid, Steffen Heuckeroth, Ansgar Korf, Aleksandr Smirnov, Owen Myers, Thomas S Dyrlund, Roman Bushuiev, Kevin J Murray, Nils Hoffmann, Miaoshan Lu, Abinesh Sarvepalli, Zheng Zhang, Markus Fleischauer, Kai Dührkop, Mark Wesner, Shawn J Hoogstra, Edward Rudt, Olena Mokshyna, Corinna Brungs, Kirill Ponomarov, Lana Mutabdžija, Tito Damiani, Chris J Pudney, Mark Earll, Patrick O Helmer, Timothy R Fallon, Tobias Schulze, Albert Rivas-Ubach, Aivett Bilbao, Henning Richter, Louis-Felix Nothias, Mingxun Wang, Matej Oresic, Jing-Ke Weng, Sebastian Böcker, Astrid Jeibmann, Heiko Hayen, Uwe Karst, Pieter C Dorrestein, Daniel Petras, Xiuxia Du, Tomáš Pluskal
Integrative analysis of multimodal mass spectrometry data in MZmine 3. Nature biotechnology (2023)
Erandika Karunaratne, Dennis W Hill, Kai Dührkop, Sebastian Böcker, David F Grant
Combining Experimental with Computational Infrared and Mass Spectra for High-Throughput Nontargeted Chemical Structure Identification. Analytical chemistry (2023)
Florian Mock, Fleming Kretschmer, Anton Kriese, Sebastian Böcker, Manja Marz
Taxonomic classification of DNA sequences beyond sequence similarity using deep neural networks. Proceedings of the National Academy of Sciences of the United States of America 119 (35) (2022)
Carsten Simon, Kai Dührkop, Daniel Petras, Vanessa-Nina Roth, Sebastian Böcker, Pieter C Dorrestein, Gerd Gleixner
Mass Difference Matching Unfolds Hidden Molecular Structures of Dissolved Organic Matter. Environmental science & technology 56 (15) (2022)
Michael A Stravs, Kai Dührkop, Sebastian Böcker, Nicola Zamboni
MSNovelist: de novo structure generation from mass spectra. Nature methods 19 (7) (2022)
Magnus Palmblad, Sebastian Böcker, Sven Degroeve, Oliver Kohlbacher, Lukas Käll, William Stafford Noble, Mathias Wilhelm
Interpretation of the DOME Recommendations for Machine Learning in Proteomics and Metabolomics. Journal of proteome research 21 (4) (2022)
Justin P Shaffer, Louis-Felix Nothias, Luke R Thompson, Jon G Sanders, Rodolfo A Salido, Sneha P Couvillion, Asker D Brejnrod, Franck Lejzerowicz, Niina Haiminen, Shi Huang, Holly L Lutz, Qiyun Zhu, Cameron Martino, James T Morton, Smruthi Karthikeyan, Mélissa Nothias-Esposito, Kai Dührkop, Sebastian Böcker, Hyun Woo Kim, Alexander A Aksenov, Wout Bittremieux, Jeremiah J Minich, Clarisse Marotz, MacKenzie M Bryant, Karenina Sanders, Tara Schwartz, Greg Humphrey, Yoshiki Vásquez-Baeza, Anupriya Tripathi, Laxmi Parida, Anna Paola Carrieri, Kristen L Beck, Promi Das, Antonio González, Daniel McDonald, Joshua Ladau, Søren M Karst, Mads Albertsen, Gail Ackermann, Jeff DeReus, Torsten Thomas, Daniel Petras, Ashley Shade, James Stegen, Se Jin Song, Thomas O Metz, Austin D Swafford, Pieter C Dorrestein, Janet K Jansson, Jack A Gilbert, Rob Knight, null null
Standardized multi-omics of Earth's microbiomes reveals microbial and metabolite diversity. Nature microbiology 7 (12) (2022)
Robin Schmid, Daniel Petras, Louis-Félix Nothias, Mingxun Wang, Allegra T Aron, Annika Jagels, Hiroshi Tsugawa, Johannes Rainer, Mar Garcia-Aloy, Kai Dührkop, Ansgar Korf, Tomáš Pluskal, Zdeněk Kameník, Alan K Jarmusch, Andrés Mauricio Caraballo-Rodríguez, Kelly C Weldon, Melissa Nothias-Esposito, Alexander A Aksenov, Anelize Bauermeister, Andrea G Albarracín Orio, Carlismari Oliveira Grundmann, Fernando Vargas, Irina Koester, Julia M Gauglitz, Emily C Gentry, Yannick Hövelmann, Svetlana A Kalinina, Matthew A Pendergraft, Morgan Panitchpakdi, Richard Tehan, Audrey Le Gouëllec, Gajender Aleti, Helena Mannochio Russo, Birgit Arndt, Florian Hübner, Heiko Hayen, Hui Zhi, Manuela Raffatellu, Kimberly A Prather, Lihini I Aluwihare, Sebastian Böcker, Kerry L McPhail, Hans-Ulrich Humpf, Uwe Karst, Pieter C Dorrestein
Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment. Nature communications 12 (1) (2021)
Martin A Hoffmann, Louis-Félix Nothias, Marcus Ludwig, Markus Fleischauer, Emily C Gentry, Michael Witting, Pieter C Dorrestein, Kai Dührkop, Sebastian Böcker
High-confidence structural annotation of metabolites absent from spectral libraries. Nature biotechnology (2021)
Marcus Ludwig, Corey D Broeckling, Pieter C Dorrestein, Kai Dührkop, Emma L Schymanski, Sebastian Böcker, Louis-Felix Nothias
Studying Charge Migration Fragmentation of Sodiated Precursor Ions in Collision-Induced Dissociation at the Library Scale. Journal of the American Society for Mass Spectrometry 32 (1) (2020)
Anupriya Tripathi, Yoshiki Vázquez-Baeza, Julia M Gauglitz, Mingxun Wang, Kai Dührkop, Mélissa Nothias-Esposito, Deepa D Acharya, Madeleine Ernst, Justin Johan Jozias van der Hooft, Qiyun Zhu, Daniel McDonald, Asker D Brejnrod, Antonio Gonzalez, Jo Handelsman, Markus Fleischauer, Marcus Ludwig, Sebastian Böcker, Louis-Felix Nothias, Rob Knight, Pieter C Dorrestein
Chemically informed analyses of metabolomics mass spectrometry data with Qemistree. Nature chemical biology 17 (2) (2020)
Louis-Félix Nothias, Daniel Petras, Robin Schmid, Kai Dührkop, Johannes Rainer, Abinesh Sarvepalli, Ivan Protsyuk, Madeleine Ernst, Hiroshi Tsugawa, Markus Fleischauer, Fabian Aicheler, Alexander A Aksenov, Oliver Alka, Pierre-Marie Allard, Aiko Barsch, Xavier Cachet, Andrés Mauricio Caraballo-Rodriguez, Ricardo R Da Silva, Tam Dang, Neha Garg, Julia M Gauglitz, Alexey Gurevich, Giorgis Isaac, Alan K Jarmusch, Zdeněk Kameník, Kyo-Bin Kang, Nikolas Kessler, Irina Koester, Ansgar Korf, Audrey Le Gouëllec, Marcus Ludwig, Christian Martin H, Laura-Isobel McCall, Jonathan McSayles, Sven W Meyer, Hosein Mohimani, Mustafa Morsy, Oriane Moyne, Steffen Neumann, Heiko Neuweger, Ngoc Hung Nguyen, Melissa Nothias-Esposito, Julien Paolini, Vanessa V Phelan, Tomáš Pluskal, Robert A Quinn, Simon Rogers, Bindesh Shrestha, Anupriya Tripathi, Justin Johan Jozias van der Hooft, Fernando Vargas, Kelly C Weldon, Michael Witting, Heejung Yang, Zheng Zhang, Florian Zubeil, Oliver Kohlbacher, Sebastian Böcker, Theodore Alexandrov, Nuno Bandeira, Mingxun Wang, Pieter C Dorrestein
Feature-based molecular networking in the GNPS analysis environment. Nature methods 17 (9) (2020)
Michael Witting, Sebastian Böcker
Current status of retention time prediction in metabolite identification. Journal of separation science 43 (9-10) (2020)
Kai Dührkop, Louis-Felix Nothias, Markus Fleischauer, Raphael Reher, Marcus Ludwig, Martin A Hoffmann, Daniel Petras, William H Gerwick, Juho Rousu, Pieter C Dorrestein, Sebastian Böcker
Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra. Nature biotechnology 39 (4) (2020)
Kai Dührkop, Markus Fleischauer, Marcus Ludwig, Alexander A Aksenov, Alexey V Melnik, Marvin Meusel, Pieter C Dorrestein, Juho Rousu, Sebastian Böcker
SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information. Nature methods 16 (4) (2019)
Eric W Deutsch, Yasset Perez Riverol, Robert J Chalkley, Mathias Wilhelm, Stephen Tate, Timo Sachsenberg, Mathias Walzer, Lukas Käll, Bernard Delanghe, Sebastian Böcker, Emma L Schymanski, Paul Wilmes, Viktoria Dorfer, Bernhard Kuster, Pieter-Jan Volders, Nico Jehmlich, Johannes P C Vissers, Dennis W Wolan, Ana Y Wang, Luis Mendoza, Jim Shofstahl, Andrew W Dowsey, Johannes Griss, Reza M Salek, Steffen Neumann, Pierre-Alain Binz, Henry H N Lam, Juan Antonio Vizcaino, Nuno Bandeira, Hannes L Röst
Expanding the Use of Spectral Libraries in Proteomics. Journal of proteome research 17 (12) (2018)
Markus Fleischauer, Sebastian Böcker
BCD Beam Search: considering suboptimal partial solutions in Bad Clade Deletion supertrees. PeerJ 6 (2018)