What role do computational methods play in studying 3D structures?
Computational methods are indispensable in modern toxicology for predicting the 3D structure and activity of potential toxins. Techniques such as molecular modeling, docking studies, and quantitative structure-activity relationship (QSAR) analyses allow researchers to simulate and visualize how chemicals might interact with biological targets. These methods can identify potential toxic effects before experimental testing, thus reducing the reliance on animal testing and accelerating the development of safer chemicals.
