Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds? - Krystel El Hage; Jean-Philip Piquemal; Zeina Hobaika; Richard G. Maroun; Nohad Gresh (J. Comput. Chem., 2013)

Could the "Janus-like" properties of the halobenzene CX bond (X˭Cl, Br) be leveraged to enhance molecular recognition? - Krystel El Hage; Jean-Philip Piquemal; Zeina Hobaika; Richard G. Maroun; Nohad Gresh (J. Comput. Chem., 2015)

Importance of explicit smeared lone-pairs in anisotropic polarizable molecular mechanics. Torture track angular tests for exchange-repulsion and charge transfer contributions. - Lea El-Khoury; Sehr Naseem-Khan; Karolina Kwapien; Zeina Hobaika; Richard G. Maroun; Jean-Philip Piquemal; Nohad Gresh (J. Comput. Chem., 2017)

AMOEBA Polarizable Molecular Dynamics Simulations of Guanine Quadruplexes: From the c-Kit Proto-Oncogene to HIV-1. - Dina El Ahdab; Louis Lagardère; Zeina Hobaika; Théo Jaffrelot Inizan; Frédéric Célerse; Nohad Gresh; Richard G. Maroun; Jean-Philip Piquemal (J. Chem. Inf. Model., 2025)