@misc{indiciae39272b5055ca, title = {Benchmarking Free Energy Computational Methods for Revealing the Interactions Driving PARP1 Selective Inhibition}, author = {Feito, A. and DeMoya-Valenzuela, N. and Privat, C. and Tejedor, A. R. and DelValle-Carrillo, M. and Cembellin, S. and Paniagua-Herranz, L. and Garaizar, A. and Oller-Iscar, J. and Ocana, A. and R. Espinosa, J.}, year = {2025}, doi = {10.64898/2025.12.29.696816}, url = {https://www.biorxiv.org/content/10.64898/2025.12.29.696816v1}, note = {Source identifier: 10.64898/2025.12.29.696816} }