Liliane Mouawad - researchr alias

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Viewing Publication 1 - 6 from 6

2017

Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowdsLudovic Chaput, Liliane Mouawad. jcheminf, 9(1), 2017. [doi]

2016

vSDC: a method to improve early recognition in virtual screening when limited experimental resources are availableLudovic Chaput, Juan Martinez-Sanz, Eric Quiniou, Pascal Rigolet, Nicolas Saettel, Liliane Mouawad. jcheminf, 8(1), 2016. [doi]

Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performanceLudovic Chaput, Juan Martinez-Sanz, Nicolas Saettel, Liliane Mouawad. jcheminf, 8(1), 2016. [doi]

2006

A DFT study on the relative affinity for oxygen of the and subunits of hemoglobinJean-Didier Maréchal, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia. jcc, 27(12):1446-1453, 2006. [doi]

2000

Theoretical modeling of the heme group with a hybrid QM/MM methodJean-Didier Maréchal, Guada Barea, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia. jcc, 21(4):282-294, 2000. [doi]

1995

Computation of Low-frequency Normal Modes in Macromolecules: Improvements to the Method of Diagonalization in a Mixed Basis and Application to HemoglobinDavid Pérahia, Liliane Mouawad. CANDC, 19(3):241-245, 1995. [doi]

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