Reaction rebalancing: a novel approach to curating reaction databases
Phan, Tieu-Long, Weinbauer, Klaus, Gärtner, Thomas, Merkle, Daniel, Andersen, Jakob L., Fagerberg, Rolf, Stadler, Peter F.
Published in Journal of cheminformatics (19.07.2024)
Published in Journal of cheminformatics (19.07.2024)
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Journal Article
In silico Support for Eschenmoser's Glyoxylate Scenario
Andersen, Jakob L., Flamm, Christoph, Merkle, Daniel, Stadler, Peter F.
Published in Israel journal of chemistry (01.08.2015)
Published in Israel journal of chemistry (01.08.2015)
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Journal Article
Navigating the Chemical Space of HCN Polymerization and Hydrolysis: Guiding Graph Grammars by Mass Spectrometry Data
Andersen, Jakob, Andersen, Tommy, Flamm, Christoph, Hanczyc, Martin, Merkle, Daniel, Stadler, Peter
Published in Entropy (Basel, Switzerland) (01.10.2013)
Published in Entropy (Basel, Switzerland) (01.10.2013)
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Journal Article
Combining Graph Transformations and Semigroups for Isotopic Labeling Design
Andersen, Jakob L, Merkle, Daniel, Rasmussen, Peter S
Published in Journal of computational biology (01.02.2020)
Published in Journal of computational biology (01.02.2020)
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Journal Article
An intermediate level of abstraction for computational systems chemistry
Andersen, Jakob L., Flamm, Christoph, Merkle, Daniel, Stadler, Peter F.
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (28.12.2017)
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (28.12.2017)
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Journal Article
Graph transformation for enzymatic mechanisms
Andersen, Jakob L, Fagerberg, Rolf, Flamm, Christoph, Fontana, Walter, Kolčák, Juraj, Laurent, Christophe V F P, Merkle, Daniel, Nøjgaard, Nikolai
Published in Bioinformatics (12.07.2021)
Published in Bioinformatics (12.07.2021)
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Journal Article
Representing Catalytic Mechanisms with Rule Composition
Andersen, Jakob L., Fagerberg, Rolf, Flamm, Christoph, Fontana, Walter, Kolčák, Juri, Laurent, Christophe V.F.P., Merkle, Daniel, Nøjgaard, Nikolai
Published in Journal of chemical information and modeling (28.11.2022)
Published in Journal of chemical information and modeling (28.11.2022)
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Journal Article
Maximizing output and recognizing autocatalysis in chemical reaction networks is NP-complete
Andersen, Jakob L, Flamm, Christoph, Merkle, Daniel, Stadler, Peter F
Published in Journal of systems chemistry (06.01.2012)
Published in Journal of systems chemistry (06.01.2012)
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Journal Article
Inferring chemical reaction patterns using rule composition in graph grammars
Andersen, Jakob L, Flamm, Christoph, Merkle, Daniel, Stadler, Peter F
Published in Journal of systems chemistry (06.06.2013)
Published in Journal of systems chemistry (06.06.2013)
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Journal Article
Rewriting theory for the life sciences: A unifying theory of CTMC semantics
Behr, Nicolas, Krivine, Jean, Andersen, Jakob L., Merkle, Daniel
Published in Theoretical computer science (07.09.2021)
Published in Theoretical computer science (07.09.2021)
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Journal Article
An intermediate level of abstraction for computational systems chemistry
Andersen, Jakob L., Flamm, Christoph, Merkle, Daniel, Stadler, Peter F.
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (28.12.2017)
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Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (28.12.2017)
Journal Article
Pathway Realisability in Chemical Networks
Andersen, Jakob L, Banke, Sissel, Fagerberg, Rolf, Flamm, Christoph, Merkle, Daniel, Stadler, Peter F
Year of Publication 19.09.2023
Year of Publication 19.09.2023
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Journal Article
Defining Autocatalysis in Chemical Reaction Networks
Andersen, Jakob L, Flamm, Christoph, Merkle, Daniel, Stadler, Peter F
Year of Publication 07.07.2021
Year of Publication 07.07.2021
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Journal Article