Articulo
Halogen bonding in drug-like molecules: a computational and systematic study of the substituent effect
Fecha
2016Registro en:
1140618
WOS:000379485200101
Institución
Resumen
Halogen bonding (XB) is a noncovalent interaction that has been increasingly used in molecular recognition, and more recently, in protein-ligand binding. We have studied and quantified, using density functional theory (DFT) calculations, the substituent