Structural and Energetic Analysis of 2-Aminobenzimidazole Inhibitors in Complex with the Hepatitis C Virus IRES RNA Using Molecular Dynamics Simulations. - Niel M. Henriksen; Hamed S. Hayatshahi; Darrell R. Davis; Thomas E. Cheatham III (J. Chem. Inf. Model., 2014)

Probing Protein Allostery as a Residue-Specific Concept via Residue Response Maps. - Hamed S. Hayatshahi; Emilio Ahuactzin; Peng Tao 001; Shouyi Wang; Jin Liu 005 (J. Chem. Inf. Model., 2019)

Allosteric Modulation of Small Molecule Drugs on ACE2 Conformational Change upon Binding to SARS-CoV-2 Spike Protein. - Duen-Shian Wang; Hamed S. Hayatshahi; Vindi M. Jayasinghe-Arachchige; Jin Liu 005 (BIBM, 2021)

Factors Governing Selectivity of Dopamine Receptor Binding Compounds for D2R and D3R Subtypes. - Hamed S. Hayatshahi; Robert R. Luedtke; Michelle Taylor; Peng-Jen Chen; Benjamin E. Blass; Jin Liu 005 (J. Chem. Inf. Model., 2021)