Liliane Mouawad

Publication Activity (10 Years)

Years Active: 1995-2017
Publications (10 Years): 3

Top Topics

Computationally Expensive

Scoring Function

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Top Venues

J. Cheminformatics

Publications

Ludovic Chaput, Liliane Mouawad
Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowds. J. Cheminformatics 9 (1) (2017)
Ludovic Chaput, Juan Martinez-Sanz, Eric Quiniou, Pascal Rigolet, Nicolas Saettel, Liliane Mouawad
vSDC: a method to improve early recognition in virtual screening when limited experimental resources are available. J. Cheminformatics 8 (1) (2016)
Ludovic Chaput, Juan Martinez-Sanz, Nicolas Saettel, Liliane Mouawad
Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performance. J. Cheminformatics 8 (1) (2016)
Jean-Didier Maréchal, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia
A DFT study on the relative affinity for oxygen of the and subunits of hemoglobin. J. Comput. Chem. 27 (12) (2006)
Jean-Didier Maréchal, Guada Barea, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia
Theoretical modeling of the heme group with a hybrid QM/MM method. J. Comput. Chem. 21 (4) (2000)
David Pérahia, Liliane Mouawad
Computation of Low-frequency Normal Modes in Macromolecules: Improvements to the Method of Diagonalization in a Mixed Basis and Application to Hemoglobin. Comput. Chem. 19 (3) (1995)