In the pharmaceutical discovery process, understanding a drug’s residence time—the duration a molecule remains bound to its ...

This study investigates the potential of amygdalin, a natural compound found in almonds, peaches, and apples, as a therapeutic agent for HER2-positive breast cancer. HER2 (human epidermal growth ...

Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...