Can Free Energy Perturbation Simulations Coupled with Replica-Exchange Molecular Dynamics Study Ligands with Distributed Binding Sites? - Christopher Lockhart; Xingyu Luo; Audrey Olson; Bryan M. Delfing; Xavier E. Laracuente; Kenneth W. Foreman; Mikell Paige; Kylene Kehn-Hall; Dmitri K. Klimov (J. Chem. Inf. Model., 2023)

Competitive Binding of Viral Nuclear Localization Signal Peptide and Inhibitor Ligands to Importin-α Nuclear Transport Protein. - Bryan M. Delfing; Xavier E. Laracuente; William Jeffries; Xingyu Luo; Audrey Olson; Kenneth W. Foreman; Greg Petruncio; Kyung Hyeon Lee; Mikell Paige; Kylene Kehn-Hall; Christopher Lockhart; Dmitri K. Klimov (J. Chem. Inf. Model., 2024)