The mechanism of double proton transfer in dimers of uracil and 2-thiouracil - The reaction force perspective. - Al Mokhtar Lamsabhi; Otilia Mó; Soledad Gutiérrez-Oliva; Patricia Pérez; Alejandro Toro-Labbé; Manuel Yáñez (J. Comput. Chem., 2009)

Dramatic substituent effects on the mechanisms of nucleophilic attack on Se - S bridges. - Otilia Mó; Al Mokhtar Lamsabhi; Manuel Yáñez; Gavin S. Heverly-Coulson; Russell J. Boyd (J. Comput. Chem., 2013)

Effects of the ionization in the tautomerism of uracil: A reaction electronic flux perspective. - Al Mokhtar Lamsabhi; Soledad Gutiérrez-Oliva; Otilia Mó; Alejandro Toro-Labbé; Manuel Yáñez (J. Comput. Chem., 2015)

A Theoretical Survey of the UV-Visible Spectra of Axially and Peripherally Substituted Boron Subphthalocyanines. - Al Mokhtar Lamsabhi; M. Merced Montero-Campillo; Otilia Mó; Manuel Yáñez (Comput., 2022)

Dissecting molecular mechanisms underlying the inhibition of β-glucuronidase by alkaloids from Hibiscus trionum: Integrating in vitro and in silico perspectives. - Emadeldin M. Kamel; Faris F. Aba Alkhayl; Haifa A. Alqhtani; May Bin-Jumah; Hassan A. Rudayni; Al Mokhtar Lamsabhi (Comput. Biol. Medicine, 2024)

Ionization, intrinsic basicity, and intrinsic acidity of unsaturated diols of astrochemical interest: 1,1- and 1,2-ethenediol: A theoretical survey. - Otilia Mó; Al Mokhtar Lamsabhi; Jean-Claude Guillemin; Manuel Yáñez (J. Comput. Chem., 2024)

Phenolic-based allosteric inhibition of PTP1B: unlocking new therapeutic potential for metabolic disorders. - Emadeldin M. Kamel; Ahmed A. Allam; Hassan A. Rudayni; Fahad M. Alshabrmi; Faris F. Aba Alkhayl; Al Mokhtar Lamsabhi (J. Comput. Aided Mol. Des., 2025)