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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: fagerberg r. Bioinformatics. 2021 Jul 12;37(Suppl_1):i392-i400. doi: 10.1093/bioinformatics/btab296. Bioinformatics. 2021. PMID: 34252947 Free PMC article.
Finding the K best synthesis plans.
Fagerberg R, Flamm C, Kianian R, Merkle D, Stadler PF. Fagerberg R, et al. J Cheminform. 2018 Apr 5;10(1):19. doi: 10.1186/s13321-018-0273-z. J Cheminform. 2018. PMID: 29623440 Free PMC article.
Recrafting the neighbor-joining method.
Mailund T, Brodal GS, Fagerberg R, Pedersen CN, Phillips D. Mailund T, et al. Among authors: fagerberg r. BMC Bioinformatics. 2006 Jan 19;7:29. doi: 10.1186/1471-2105-7-29. BMC Bioinformatics. 2006. PMID: 16423304 Free PMC article.
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: fagerberg r. 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