molecular mechanics

Molecular mechanics is a way to predict how molecules behave by using principles from physics. It treats atoms like tiny balls connected by springs, where the positions and interactions determine the molecule’s structure and energy. By calculating forces and distances, it helps scientists understand the most stable shapes, how molecules vibrate, and how they react. This approach allows for efficient simulation of large molecules without detailed quantum calculations, making it valuable for studying biological systems, materials, and drug design. Essentially, molecular mechanics models molecules as a system of linked parts to analyze their physical properties.