Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge. - Mehtap Isik; Teresa Danielle Bergazin; Thomas Fox; Andrea Rizzi; John D. Chodera; David L. Mobley (J. Comput. Aided Mol. Des., 2020)

Enhancing water sampling of buried binding sites using nonequilibrium candidate Monte Carlo. - Teresa Danielle Bergazin; Ido Y. Ben-Shalom; Nathan M. Lim; Sam C. Gill; Michael K. Gilson; David L. Mobley (J. Comput. Aided Mol. Des., 2021)

Evaluation of log P, pKa, and log D predictions from the SAMPL7 blind challenge. - Teresa Danielle Bergazin; Nicolas Tielker; Yingying Zhang; Junjun Mao; Marilyn R. Gunner; Karol Francisco; Carlo Ballatore; Stefan M. Kast; David L. Mobley (J. Comput. Aided Mol. Des., 2021)

Advancing physicochemical property predictions in computational drug discovery - Teresa Danielle Bergazin (2022)