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Page 1
Representing Catalytic Mechanisms with Rule Composition.
Andersen JL, Fagerberg R, Flamm C, Fontana W, Kolčák J, Laurent CVFP, Merkle D, Nøjgaard N. Andersen JL, et al. Among authors: nojgaard n. J Chem Inf Model. 2022 Nov 28;62(22):5513-5524. doi: 10.1021/acs.jcim.2c00426. Epub 2022 Nov 3. J Chem Inf Model. 2022. PMID: 36326605
Graph transformation for enzymatic mechanisms.
Andersen JL, Fagerberg R, Flamm C, Fontana W, Kolčák J, Laurent CVFP, Merkle D, Nøjgaard N. Andersen JL, et al. Among authors: nojgaard n. Bioinformatics. 2021 Jul 12;37(Suppl_1):i392-i400. doi: 10.1093/bioinformatics/btab296. Bioinformatics. 2021. PMID: 34252947 Free PMC article.
Generic Context-Aware Group Contributions.
Flamm C, Hellmuth M, Merkle D, Nojgaard N, Stadler PF. Flamm C, et al. Among authors: nojgaard n. IEEE/ACM Trans Comput Biol Bioinform. 2022 Jan-Feb;19(1):429-442. doi: 10.1109/TCBB.2020.2998948. Epub 2022 Feb 3. IEEE/ACM Trans Comput Biol Bioinform. 2022. PMID: 32750852
Time-consistent reconciliation maps and forbidden time travel.
Nøjgaard N, Geiß M, Merkle D, Stadler PF, Wieseke N, Hellmuth M. Nøjgaard N, et al. Algorithms Mol Biol. 2018 Feb 6;13:2. doi: 10.1186/s13015-018-0121-8. eCollection 2018. Algorithms Mol Biol. 2018. PMID: 29441122 Free PMC article.