Liao, J., Sergeeva, A. P., Harder, E. D., Wang, L., Sampson, J. M., Honig, B., & Friesner, R. A. (2024). A Method for Treating Significant Conformational Changes in Alchemical Free Energy Simulations of Protein–Ligand Binding. Journal of Chemical Theory and Computation, 20(19), 8609–8623. https://doi.org/10.1021/acs.jctc.4c00954

Banayan, N. E., Hsu, A., Hunt, J. F., Palmer, A. G., & Friesner, R. A. (2024). Parsing Dynamics of Protein Backbone NH and Side-Chain Methyl Groups using Molecular Dynamics Simulations. Journal of Chemical Theory and Computation, 20(14), 6316–6327. https://doi.org/10.1021/acs.jctc.4c00378