Impact of Protein Flexibility in Docking

Protein flexibility refers to the ability of a protein to change its shape. In the context of molecular docking, which is used to predict how proteins interact with other molecules, this flexibility can significantly impact the accuracy of predictions. A protein that can adjust its structure may fit better with a binding partner, leading to more realistic interactions. If flexibility is not considered, docking results may suggest inaccurate binding sites or affinities, potentially overlooking important biological interactions. Therefore, accounting for protein flexibility enhances the reliability of simulations in drug design and other applications.