Accurate Biomolecular Simulations Account for Electronic Polarization

by Josef Melcr, Jean-Philip Piquemal, Jean-Philip Piquemal, Jean-Philip Piquemal
Published 2019-12-01

Quantum-Chemistry Based Design of Halobenzene Derivatives With Augmented Affinities for the HIV-1 Viral G4/C16 Base-Pair

by Perla El Darazi, Perla El Darazi, Léa El Khoury, Léa El Khoury, Krystel El Hage, Richard G. Maroun, Zeina Hobaika, Jean-Philip Piquemal, Jean-Philip Piquemal, Jean-Philip Piquemal, Nohad Gresh
Published 2020-06-01

A Simple Isomerization of the Purine Scaffold of a Kinase Inhibitor, Roscovitine, Affords a Four- to Seven-Fold Enhancement of Its Affinity for Four CDKs. Could This Be Traced Back...

by Krystel El Hage, Jean-Philip Piquemal, Nassima Oumata, Laurent Meijer, Hervé Galons, Nohad Gresh
Published 2017-07-01

Spectrometric and computational studies of the binding of HIV-1 integrase inhibitors to viral DNA extremities

by Léa El Khoury, Krystel El Hage, Jean-Philip Piquemal, Serge Fermandjian, Richard G. Maroun, Nohad Gresh, Zeina Hobaika
Published 2019-12-01

Study of the inhibition mechanism of HIV-1 integrase by diketoacids molecules

by Léa El Khoury, Zeina Hobaika, Krystel El Hage, Serge Fermandjian, Jean-Philip Piquemal, Nohad Gresh, Richard G. Maroun
Published 2016-05-01