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Journal of Chemical Information and Modeling|July 2, 2013
3D matched pairs: integrating ligand- and structure-based knowledge for ligand design and receptor annotationShana L Posy, Brian L Claus, Matt E Pokross, et al.Journal of Chemical Information and Modeling|July 21, 2017
Improving Accuracy, Diversity, and Speed with Prime Macrocycle Conformational SamplingDan Sindhikara, Steven A Spronk, Tyler Day, et al.Journal of Computer-Aided Molecular Design|July 16, 2024
MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamicsAlexander C Brueckner, Benjamin Shields, Palani Kirubakaran, et al.Journal of Medicinal Chemistry|December 7, 2010
Trends in kinase selectivity: insights for target class-focused library screeningShana L Posy, Mark A Hermsmeier, Wayne Vaccaro, et al.ACS Medicinal Chemistry Letters|June 17, 2026
Solubility-Driven Lead Optimization of PAR4 Antagonists and Evaluation of a Phosphate Ester Prodrug Delivery StrategyO Scott Halpern, Samuel K Reznik, Xiaojun Zhang, et al.Journal of Medicinal Chemistry|February 20, 2015
The discovery of macrocyclic XIAP antagonists from a DNA-programmed chemistry library, and their optimization to give lead compounds with in vivo antitumor activityBenjamin A Seigal, William H Connors, Andrew Fraley, et al.ACS Medicinal Chemistry Letters|May 19, 2022
Identification of 2-Pyridinylindole-Based Dual Antagonists of Toll-like Receptors 7 and 8 (TLR7/8)Ratna Kumar Sreekantha, Christopher P Mussari, Dharmpal S Dodd, et al.ACS Medicinal Chemistry Letters|September 18, 2020
Discovery of Potent and Orally Bioavailable Small Molecule Antagonists of Toll-like Receptors 7/8/9 (TLR7/8/9)Christopher P Mussari, Dharmpal S Dodd, Ratna Kumar Sreekantha, et al.ACS Medicinal Chemistry Letters|July 21, 2015
Dimeric Macrocyclic Antagonists of Inhibitor of Apoptosis Proteins for the Treatment of CancerYong Zhang, Benjamin A Seigal, Nicholas K Terrett, et al.ACS Medicinal Chemistry Letters|March 18, 2026
Discovery of Triazine-Based Toll-Like Receptor 9 Antagonists with Oral ActivityMichael D Mandler, Yeheng Zhu, Emily C Hollenbeck, et al.Pageof 2