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Journal 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|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 HamaekersEuropean Journal of Biochemistry|March 13, 2003
Modeled ligand-protein complexes elucidate the origin of substrate specificity and provide insight into catalytic mechanisms of phenylalanine hydroxylase and tyrosine hydroxylaseAstrid Maass, Joachim Scholz, Andreas MoserJournal of Chemical Information and Modeling|November 20, 2024
ConfRank: Improving GFN-FF Conformer Ranking with Pairwise TrainingChristian Hölzer, Rick Oerder, Stefan Grimme, et al.Expert Opinion on Emerging Drugs|December 10, 2003
Adenosine receptor agonists: from basic medicinal chemistry to clinical developmentLuo Yan, Joachim C Burbiel, Astrid Maass, et al.Journal of Computer-Aided Molecular Design|September 17, 2009
Homology modelling of the human adenosine A2B receptor based on X-ray structures of bovine rhodopsin, the beta2-adrenergic receptor and the human adenosine A2A receptorFarag F Sherbiny, Anke C Schiedel, Astrid Maass, et al.Journal of Chemical Theory and Computation|November 26, 2015
A Glycam-Based Force Field for Simulations of Lipopolysaccharide Membranes: Parametrization and ValidationKarl N Kirschner, Roberto D Lins, Astrid Maass, et al.Studies in Health Technology and Informatics|May 4, 2007
Grid enabled high throughput virtual screening against four different targets implicated in malariaJean Salzemann, Vinod Kasam, Nicolas Jacq, et al.Biochimica Et Biophysica Acta|July 10, 2010
Folding and unfolding characteristics of short beta strand peptides under different environmental conditions and starting configurationsAstrid Maass, Emine Deniz Tekin, Anton Schüller, et al.Pageof 2