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2020 – today
- 2024
[j7]Afnan Sultan
, Jochen Sieg, Miriam Mathea, Andrea Volkamer:
Transformers for Molecular Property Prediction: Lessons Learned from the Past Five Years. J. Chem. Inf. Model. 64(16): 6259-6280 (2024)- [j6]Jochen Sieg, Christian Feldmann, Jennifer Hemmerich, Conrad Stork, Frederik Sandfort, Philipp Eiden, Miriam Mathea:
MolPipeline: A Python Package for Processing Molecules with RDKit in Scikit-learn. J. Chem. Inf. Model. 64(24): 9027-9033 (2024) - [i1]Afnan Sultan, Jochen Sieg, Miriam Mathea, Andrea Volkamer:
Transformers for molecular property prediction: Lessons learned from the past five years. CoRR abs/2404.03969 (2024) - 2023
- [b1]Jochen Sieg:
Methods for Processing and Analyzing Protein Structure Collections for Data-Driven Structure-Property Relationship Modeling. University of Hamburg, Germany, 2023 - [j5]Jochen Sieg, Matthias Rarey:
Searching similar local 3D micro-environments in protein structure databases with MicroMiner. Briefings Bioinform. 24(6) (2023) - [j4]Torben Gutermuth, Jochen Sieg, Tim Stohn, Matthias Rarey:
Modeling with Alternate Locations in X-ray Protein Structures. J. Chem. Inf. Model. 63(8): 2573-2585 (2023) - [d1]Jochen Sieg, Matthias Rarey:
Single mutation protein structure pairs extracted from the PDB with MicroMiner. UHH-FDR, 2023
- 2022
- [j3]Katrin Schöning-Stierand, Konrad Diedrich, Christiane Ehrt, Florian Flachsenberg, Joel Graef, Jochen Sieg, Patrick Penner, Martin Poppinga, Annett Ungethüm, Matthias Rarey:
ProteinsPlus: a comprehensive collection of web-based molecular modeling tools. Nucleic Acids Res. 50(W1): 611-615 (2022)
2010 – 2019
- 2019
- [j2]Agnes Meyder, Stefanie Kampen, Jochen Sieg, Rainer Fährrolfes, Nils-Ole Friedrich, Florian Flachsenberg, Matthias Rarey:
StructureProfiler: an all-in-one tool for 3D protein structure profiling. Bioinform. 35(5): 874-876 (2019) - [j1]Jochen Sieg, Florian Flachsenberg, Matthias Rarey:
In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening. J. Chem. Inf. Model. 59(3): 947-961 (2019)
Coauthor Index
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