Drug Molecules: A Charge Density Perspective

A comprehensive study on the electronic structure, inter molecular interaction, charge density, electrostatic properties and interaction with the target protein have been reported for some carefully chosen drug molecules. The modern X-ray crystallography techniques combined with computational simulations have made this possible and serve as a boon in not only revealing the structure-properties relation and drug-receptor interaction but also give us great confidence to look into these drug molecules in charge density perspective.