Computational Investigation of Protein Chemistry: "S-Nitrosohemoglobin". - Denise M. Koch; Ann M. English; Gilles H. Peslherbe (HPCS, 2008)

An electronic structure theory investigation of the physical chemistry of the intermolecular complexes of cyclopropenylidene with hydrogen halides. - Pradeep R. Varadwaj; Arpita Varadwaj; Gilles H. Peslherbe (J. Comput. Chem., 2012)

Performance of density-functional tight-binding models in describing hydrogen-bonded anionic-water clusters. - Soran Jahangiri; Lemin Cai; Gilles H. Peslherbe (J. Comput. Chem., 2014)

Insights into dietary phytochemicals targeting Parkinson's disease key genes and pathways: A network pharmacology approach. - Devi Soorya Narayana Sasikumar; Premkumar Thiruselvam; Vino Sundararajan; Radhika Ravindran; Shoba Gunasekaran; Deepa Madathil; Satyavani Kaliamurthi; Gilles H. Peslherbe; Gurudeeban Selvaraj; Sajitha Lulu Sudhakaran (Comput. Biol. Medicine, 2024)