If you publish a paper or preprint citing Rowan, please let us know and we'll be happy to share it with our network!
Schermeng, T.; Fürll, A.; Liessmann, F.; von Bredow, L.; Stichel, J.; Weaver, C. D.; Tretbar, M.; Meiler, J.; Beck-Sickinger, A. G. Similar Binding Mode of a 5-Sulfonylthiouracil Derivative Antagonist at Chemerin Receptors CMKLR1 and GPR1. J. Med. Chem. 2025, 68 (11), 11149–11173. DOI: 10.1021/acs.jmedchem.5c00135
Migliaro, I.; Weiss, M. G. S.; Sterling, A. J. ChemRefine: An open-source automated and interoperable platform for machine learning and quantum chemistry simulations. ChemRxiv 2025. DOI: 10.26434/chemrxiv-2025-cvg1x
Morera, D. B.; Mattiotti, G.; Kocev, A.; Rousselot, A.; Meuret, L.; Rouaud, L.; Santuz, H.; Baaden, M.; Taly, A.; Pasquali, S. Statistical Molecular Interaction Fields: A Fast and Informative Tool for Characterizing RNA and Protein-Binding Pockets. J. Chem. Theory Comput. 2025. DOI: 10.1021/acs.jctc.5c00688
Amako, Y.; Ichikawa, S.; Lloyd, H. C.; Payne, N. C.; Lin, Z.; Boghossian, A. S.; Rees, M. G.; Ronan, M. M.; Roth, J. A.; Zhu, Q. The contribution of cyclic imide stereoisomers on cereblon-dependent activity. Chemical Science 2025, 16, 11519-11529. DOI: 10.1039/d5sc01371b
Schermeng, T.; Fürll, A.; Liessmann, F.; von Bredow, L.; Stichel, J.; Weaver, C. D.; Tretbar, M.; Meiler, J.; Beck-Sickinger, A. G. Similar Binding Mode of a 5-Sulfonylthiouracil Derivative Antagonist at Chemerin Receptors CMKLR1 and GPR1. J. Med. Chem. 2025, 68 (11), 11149–11173. DOI: 10.1021/acs.jmedchem.5c00135
Gharakhanyan, V.; Barroso-Luque, L.; Yang, Y.; Shuaibi, M.; Michel, K.; Levine, D. S.; Dzamba, M.; Fu, X.; Gao, M.; Liu, X.; et al. Open Molecular Crystals 2025 (OMC25) Dataset and Models. arXiv, 2025. DOI: 10.48550/arXiv.2508.02651
Carson, M. C.; de Lima Neto, J. Duggal, K. D.; Menezes, P. H.; Kozlowski, M. C. Total Synthesis of Aporphine Alkaloids via Photocatalytic Oxidative Phenol Coupling and Biological Evaluation at the Serotonin 5-HT2 and Adrenergic α1A Receptors. Journal of Medicinal Chemistry 2025, 68, 14, 14628–14644. DOI: 10.1021/acs.jmedchem.5c00771
Bojan, M.; Vedula, S.; Maddipatla, A.; Sellam, N. B.; Napoli, F.; Schanda, P.; Bronstein, A. M. Representing local protein environments with atomistic foundation models. arXiv 2025. DOI: 10.48550/arXiv.2505.23354
(Be sure to check out Meital and Sanketh's blog post about the above paper too.)
Shinde, D. S.; Qazi, A. F.; Patil, H. R.; Shukla, R.; Patil, R. D.; Gupta, P. Green and Tandem Synthesis of Heterocyclic α,α'-Dibromocycloamides and Their Target Predictions and ADMET Analysis. ChemistrySelect 2025. DOI: 10.1002/slct.202501499
Fanourakis, A.; Ali, Y.; Chen, L.; Kelly, P. Q.; Bracken A. J.; Kelly, C. B.; Levin, M. D. Strategic atom replacement enables regiocontrol in pyrazole alkylation. Nature 2025. DOI: 10.1038/s41586-025-08951-x
Duignan, T. T. Carbonic anhydrase II simulated with a universal neural network potential. arXiv 2025. DOI: 10.48550/arXiv.2503.13789
Yuan, E. C.-Y. et al. Foundation Models for Atomistic Simulation of Chemistry and Materials. arXiv 2025. DOI: 10.48550/arXiv.2503.10538