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Journal of Chemical Information and Modeling|August 7, 2025
ConfRank+: Extending Conformer Ranking to Charged MoleculesRick Oerder, Christian Hölzer, Jan HamaekersMolecular Diversity|August 5, 2017
The octet rule in chemical space: generating virtual moleculesRafel Israels, Astrid Maaß, Jan HamaekersJournal of Cheminformatics|June 21, 2024
Llamol: a dynamic multi-conditional generative transformer for de novo molecular designNiklas Dobberstein, Astrid Maass, Jan HamaekersJournal of Chemical Information and Modeling|November 20, 2024
ConfRank: Improving GFN-FF Conformer Ranking with Pairwise TrainingChristian Hölzer, Rick Oerder, Stefan Grimme, et al.ACS Omega|November 10, 2018
Insights into the Folding of Disulfide-Rich μ-ConotoxinsAjay Abisheck Paul George, Pascal Heimer, Astrid Maaß, et al.Pageof 1