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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
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.