folding simulations

Folding simulations are computer-based models that predict how a protein's chain of amino acids will naturally fold into its specific three-dimensional structure. Since protein shape determines its function, these simulations help scientists understand biological processes and design new drugs. They use complex algorithms to mimic the physical forces and interactions that guide folding, allowing researchers to visualize and analyze the process without needing physical experiments. This approach accelerates discovery by providing insights into protein behavior that are difficult to observe directly in the lab.