Molecular dynamics simulations of ion solvation by flexible-boundary QM/MM: On-the-fly partial charge transfer between QM and MM subsystems. - Soroosh Pezeshki; Hai Lin 007 (J. Comput. Chem., 2014)

Anion Pathways in the NarK Nitrate/Nitrite Exchanger. - Nara Lee Chon; Natalie Jean Schultz; Hongjin Zheng; Hai Lin 007 (J. Chem. Inf. Model., 2023)

QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations. - Hai Lin 007; Yan Zhang; Soroosh Pezeshki; Adam W. Duster; Bo Wang; Xin-Ping Wu; Shi-Wen Zheng; Laura Gagliardi; Donald G. Truhlar (Comput. Phys. Commun., 2024)