Publications by authors named "Jan Elsner"

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Computation of the heat capacity of water from first principles.
Motoyuki Shiga, Jan Elsner, Jörg Behler, Bo Thomsen

J Chem Phys· October 2025

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A highly selective and orally bioavailable casein kinase 1 alpha degrader through p53 signaling pathway targets B-cell lymphoma cells.
Shi Feng, Ran Kong, Cong Wang, Qingbo Hao, Xiaoyu Xie, Jan Elsner

Leukemia· August 2025

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Long spin lifetimes of charge carriers in rubrene crystals due to fast transient-localization motion.
Remington L Carey, Xinglong Ren, Ian E Jacobs, Jan Elsner, Sam Schott

Nat Commun· August 2025

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Thermoelectric transport in molecular crystals driven by gradients of thermal electronic disorder.
Jan Elsner, Yucheng Xu, Elliot D Goldberg, Filip Ivanovic, Aaron Dines

Sci Adv· October 2024

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Transiently delocalized states enhance hole mobility in organic molecular semiconductors.
Samuele Giannini, Lucia Di Virgilio, Marco Bardini, Julian Hausch, Jaco J Geuchies, Jan Elsner

Nat Mater· November 2023

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Ultrafast Electronic Coupling Estimators: Neural Networks versus Physics-Based Approaches.
Roohollah Hafizi, Jan Elsner, Jochen Blumberger

J Chem Theory Comput· July 2023

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Discovery of the c-Jun N-Terminal Kinase Inhibitor .
Mark A Nagy, Robert Hilgraf, Deborah S Mortensen, Jan Elsner, Stephen Norris

J Med Chem· December 2021

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Structure-Guided Optimization Provides a Series of TTK Protein Inhibitors with Potent Antitumor Activity.
Jan Elsner, Dan Cashion, Dale Robinson, Sogole Bahmanyar, Lida Tehrani

J Med Chem· September 2021

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Mechanoelectric Response of Single-Crystal Rubrene from Ab Initio Molecular Dynamics.
Jan Elsner, Samuele Giannini, Jochen Blumberger

J Phys Chem Lett· July 2021

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Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
Jennifer R Riggs, Jan Elsner, Dan Cashion, Dale Robinson, Lida Tehrani

J Med Chem· May 2019

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The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
Jennifer R Riggs, Mark Nagy, Jan Elsner, Paul Erdman, Dan Cashion

J Med Chem· November 2017

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Discovery of mammalian target of rapamycin (mTOR) kinase inhibitor CC-223.
Deborah S Mortensen, Sophie M Perrin-Ninkovic, Graziella Shevlin, Jingjing Zhao, Garrick Packard, Jan Elsner

J Med Chem· July 2015

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Optimization of a Series of Triazole Containing Mammalian Target of Rapamycin (mTOR) Kinase Inhibitors and the Discovery of CC-115.
Deborah S Mortensen, Sophie M Perrin-Ninkovic, Graziella Shevlin, Jan Elsner, Jingjing Zhao

J Med Chem· July 2015

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Highly potent 5-aminotetrahydropyrazolopyridines: enantioselective dopamine D3 receptor binding, functional selectivity, and analysis of receptor-ligand interactions.
Nuska Tschammer, Jan Elsner, Angela Goetz, Katharina Ehrlich, Stefan Schuster

J Med Chem· April 2011

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Bicyclic melatonin receptor agonists containing a ring-junction nitrogen: Synthesis, biological evaluation, and molecular modeling of the putative bioactive conformation.
Jan Elsner, Frank Boeckler, Kathryn Davidson, David Sugden, Peter Gmeiner

Bioorg Med Chem· March 2006

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Pharmacophore-guided drug discovery investigations leading to bioactive 5-aminotetrahydropyrazolopyridines. Implications for the binding mode of heterocyclic dopamine D3 receptor agonists.
Jan Elsner, Frank Boeckler, Frank W Heinemann, Harald Hübner, Peter Gmeiner

J Med Chem· September 2005

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