Identification of Non-Macrocyclic Small Molecule Inhibitors against the NS3/4A Serine Protease of Hepatitis C Virus through in Silico Screening. - Rima Chaudhuri; Hyun Lee; Lena Truong; Jaime Torres; Kavankumar Patel; Michael E. Johnson (J. Chem. Inf. Model., 2012)

Fragment-Based Drug Discovery Using a Multidomain, Parallel MD-MM/PBSA Screening Protocol. - Tian Zhu; Hyun Lee; Hao Lei; Christopher Jones; Kavankumar Patel; Michael E. Johnson; Kirk E. Hevener (J. Chem. Inf. Model., 2013)

Comparison of radii sets, entropy, QM methods, and sampling on MM-PBSA, MM-GBSA, and QM/MM-GBSA ligand binding energies of F. tularensis enoyl-ACP reductase (FabI). - Pin-Chih Su; Cheng-Chieh Tsai; Shahila Mehboob; Kirk E. Hevener; Michael E. Johnson (J. Comput. Chem., 2015)

Evaluating thermodynamic integration performance of the new amber molecular dynamics package and assess potential halogen bonds of enoyl-ACP reductase (FabI) benzimidazole inhibitors. - Pin-Chih Su; Michael E. Johnson (J. Comput. Chem., 2016)

Evaluation of interactions between the hepatitis C virus NS3/4A and sulfonamidobenzamide based molecules using molecular docking, molecular dynamics simulations and binding free energy calculations. - Jinhong Ren; Tasneem M. Vaid; Hyun Lee; Isabel Ojeda; Michael E. Johnson (J. Comput. Aided Mol. Des., 2023)