The origins of the directionality of noncovalent intermolecular interactions. - Changwei Wang 004; Liangyu Guan; David Danovich; Sason Shaik; Yirong Mo (J. Comput. Chem., 2016)

Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature? - Changwei Wang 004; Yuzhuang Fu; Lina Zhang; David Danovich; Sason Shaik; Yirong Mo (J. Comput. Chem., 2018)

Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions. - Changwei Wang 004; David Danovich; Sason Shaik; Wei Wu 030; Yirong Mo (J. Comput. Chem., 2019)

TITAN: A Code for Modeling and Generating Electric Fields - Features and Applications to Enzymatic Reactivity. - Thijs Stuyver; Jing Huang; Dibyendu Mallick; David Danovich; Sason Shaik (J. Comput. Chem., 2020)