Computation of Low-frequency Normal Modes in Macromolecules: Improvements to the Method of Diagonalization in a Mixed Basis and Application to Hemoglobin. - David Pérahia; Liliane Mouawad (Comput. Chem., 1995)

Theoretical modeling of the heme group with a hybrid QM/MM method. - Jean-Didier Maréchal; Guada Barea; Feliu Maseras; Agustí Lledós; Liliane Mouawad; David Pérahia (J. Comput. Chem., 2000)

A DFT study on the relative affinity for oxygen of the and subunits of hemoglobin. - Jean-Didier Maréchal; Feliu Maseras; Agustí Lledós; Liliane Mouawad; David Pérahia (J. Comput. Chem., 2006)

vSDC: a method to improve early recognition in virtual screening when limited experimental resources are available. - Ludovic Chaput; Juan Martinez-Sanz; Eric Quiniou; Pascal Rigolet; Nicolas Saettel; Liliane Mouawad (J. Cheminformatics, 2016)

Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performance. - Ludovic Chaput; Juan Martinez-Sanz; Nicolas Saettel; Liliane Mouawad (J. Cheminformatics, 2016)

Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowds. - Ludovic Chaput; Liliane Mouawad (J. Cheminformatics, 2017)