Prediction of interaction site of a drug. A combined approach using high resolution diffraction experiment, ab initio calculations, CSD analysis and molecular interaction field determination

Xiao Xu (1) , A. Chitre (1) , T. Douglas (1) , R. Johanson (1) , C. S. Lim (1) , T. Nomura (1) , Y. Wang (1) , Nada Bošnjaković-Pavlović (1) , Sladjana Novakovic (2) , Anne Spasojevic - de Biré (1)

1 SPMS - Laboratoire Structures, Propriétés et Modélisation des solides
2 Laboratory of Theoretical Physics and Condensed Matter Physics [Vinča Institute]

Domaines: Sciences de l'ingénieur [physics]; Matériaux

Xiao Xu, A. Chitre, T. Douglas, R. Johanson, C. S. Lim, et al.. Prediction of interaction site of a drug. A combined approach using high resolution diffraction experiment, ab initio calculations, CSD analysis and molecular interaction field determination. Serbian Crystallographic Meeting, May 2012, Bela Crkva, Serbia. ⟨hal-02302543⟩