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

Molecular dynamics simulations have emerged as an indispensable tool in modern biomedical research, particularly in the study of protein kinases. This computational approach permits detailed ...

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 ...

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 ...

AI takes centre stage at an EMBO workshop exploring emerging trends, collaborative opportunities, and recent advances in computational structural ...

Dynamin is a protein that plays a central role in endocytosis—the process where cells internalize substances by wrapping them in cell membrane vesicles. For a vesicle to detach, the neck of the ...

Cancer research focuses on a protein called Sirtuin 2 (SIRT2) as a potential drug target. A new study identified two fungal ...