Exploring Substrate Binding in the Extracellular Vestibule of MhsT by Atomistic Simulations and Markov Models. - Ara M. Abramyan; Matthias Quick; Catherine Xue; Jonathan A. Javitch; Lei Shi 006 (J. Chem. Inf. Model., 2018)

The E2.65A mutation disrupts dynamic binding poses of SB269652 at the dopamine D2 and D3 receptors. - Ravi Kumar Verma; Ara M. Abramyan; Mayako Michino; R. Benjamin Free; David R. Sibley; Jonathan A. Javitch; Jonathan Robert Lane; Lei Shi 006 (PLoS Comput. Biol., 2018)

Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting Ligands. - Ara M. Abramyan; Anna Bochicchio; Chuanjie Wu; Wolfgang Damm; David R. Langley; Devleena Shivakumar; Dmitry Lupyan; Lingle Wang; Edward Harder; Eliud O. Oloo (J. Chem. Inf. Model., 2025)

Enabling In-Silico Hit Discovery Workflows Targeting RNA with Small Molecules. - Nikita Chopra; Ara M. Abramyan; Zeineb Si Chaib; Wei Chen; Yeyue Xiong; Anna Bochicchio; David Rinaldo; Steven V. Jerome; Yuqi Zhang 003 (J. Chem. Inf. Model., 2025)