Ligand and Residue Free Energy Perturbations Solve the Dual Binding Mode Proposal for an A2BAR Partial Agonist

Citation
Tandarić, T., & Gutiérrez-de-Terán, H. (2025). Ligand and Residue Free Energy Perturbations Solve the Dual Binding Mode Proposal for an A2BAR Partial Agonist. The Journal of Physical Chemistry B, 129(3), 886–899. https://doi.org/10.1021/acs.jpcb.4c07391
DOI:
DOI: 10.1021/acs.jpcb.4c07391
Year of publication:
2025
Authors participating in BCBHub:
Hugo Gutiérrez de Terán Castañón