9 Publikationen
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2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2992583Partial Imaginary Transition State (ITS) Graphs: A Formal Framework for Research and Analysis of Atom-to-Atom Maps of Unbalanced Chemical Reactions and Their CompletionsPUB | DOI | WoS
González Laffitte MEG, Weinbauer K, Phan T-L, Beier N, Domschke N, Flamm C, Gatter T, Merkle D, Stadler P (2024)
Symmetry 16(9): 1217. -
2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2991573Reaction rebalancing: a novel approach to curating reaction databasesPUB | DOI | WoS | PubMed | Europe PMC
Phan T-L, Weinbauer K, Gärtner T, Merkle D, Andersen JL, Fagerberg R, Stadler PF (2024)
Journal of Cheminformatics 16(1): 82. -
2024 | Zeitschriftenaufsatz | E-Veröff. vor dem Druck | PUB-ID: 2989895Toward the Reconciliation of Inconsistent Molecular Structures from Biochemical DatabasesPUB | DOI | WoS | PubMed | Europe PMC
Eriksen CA, Andersen JL, Fagerberg R, Merkle D (2024)
Journal of Computational Biology . -
2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2987395Representing Catalytic Mechanisms with Rule CompositionPUB | DOI
Andersen JL, Fagerberg R, Flamm C, Fontana W, Kolčák J, Laurent CVFP, Merkle D, Nøjgaard N (2022)
Journal of Chemical Information and Modeling 62(22): 5513-5524. -
2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2987396Generic Context-Aware Group ContributionsPUB | DOI
Flamm C, Hellmuth M, Merkle D, Nojgaard N, Stadler PF (2022)
IEEE/ACM Transactions on Computational Biology and Bioinformatics 19(1): 429-442. -
2020 | Sammelwerksbeitrag | Veröffentlicht | PUB-ID: 2987398Atom Tracking Using Cayley GraphsPUB | DOI
Hellmuth M, Merkle D, Nøjgaard N (2020)
In: Bioinformatics Research and Applications. 16th International Symposium, ISBRA 2020, Moscow, Russia, December 1–4, 2020, Proceedings. Cai Z, Mandoiu I, Narasimhan G, Skums P, Guo X (Eds); Lecture Notes in Computer Science. Cham: Springer International Publishing: 406-415. -
2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2987397Combining Graph Transformations and Semigroups for Isotopic Labeling DesignPUB | DOI
Andersen JL, Merkle D, Rasmussen PS (2020)
Journal of Computational Biology 27(2): 269-287. -
2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2987399Chemical Transformation Motifs—Modelling Pathways as Integer HyperflowsPUB | DOI
Andersen JL, Flamm C, Merkle D, Stadler PF (2019)
IEEE/ACM Transactions on Computational Biology and Bioinformatics 16(2): 510-523. -
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2987400DNA-templated synthesis optimizationPUB | DOI
Hansen BN, Larsen KS, Merkle D, Mihalchuk A (2018)
Natural Computing 17(4): 693-707.