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The Journal of Physical Chemistry Letters|June 17, 2021
Mechanoelectric Response of Single-Crystal Rubrene from Ab Initio Molecular DynamicsJan Elsner, Samuele Giannini, Jochen BlumbergerJournal of Chemical Theory and Computation|June 22, 2023
Ultrafast Electronic Coupling Estimators: Neural Networks versus Physics-Based ApproachesRoohollah Hafizi, Jan Elsner, Jochen BlumbergerThe Journal of Chemical Physics|October 6, 2025
Computation of the heat capacity of water from first principlesMotoyuki Shiga, Jan Elsner, Jörg Behler, et al.Bioorganic & Medicinal Chemistry|November 18, 2005
Bicyclic melatonin receptor agonists containing a ring-junction nitrogen: Synthesis, biological evaluation, and molecular modeling of the putative bioactive conformationJan Elsner, Frank Boeckler, Kathryn Davidson, et al.Journal of Medicinal Chemistry|September 2, 2005
Pharmacophore-guided drug discovery investigations leading to bioactive 5-aminotetrahydropyrazolopyridines. Implications for the binding mode of heterocyclic dopamine D3 receptor agonistsJan Elsner, Frank Boeckler, Frank W Heinemann, et al.Science Advances|October 23, 2024
Thermoelectric transport in molecular crystals driven by gradients of thermal electronic disorderJan Elsner, Yucheng Xu, Elliot D Goldberg, et al.Nature Communications|August 15, 2025
Long spin lifetimes of charge carriers in rubrene crystals due to fast transient-localization motionRemington L Carey, Xinglong Ren, Ian E Jacobs, et al.Journal of Medicinal Chemistry|March 11, 2011
Highly potent 5-aminotetrahydropyrazolopyridines: enantioselective dopamine D3 receptor binding, functional selectivity, and analysis of receptor-ligand interactionsNuska Tschammer, Jan Elsner, Angela Goetz, et al.Journal of Medicinal Chemistry|August 30, 2021
Structure-Guided Optimization Provides a Series of TTK Protein Inhibitors with Potent Antitumor ActivityJan Elsner, Dan Cashion, Dale Robinson, et al.Leukemia|May 27, 2025
A highly selective and orally bioavailable casein kinase 1 alpha degrader through p53 signaling pathway targets B-cell lymphoma cellsShi Feng, Ran Kong, Cong Wang, et al.Pageof 2