 Peptids are short chains of amino acids that play important roles in many biological processes. They are often used as drugs because they can interact with proteins in ways that small molecules cannot. However, predicting the structure and behavior of these complexes has been difficult due to their high flexibility. Recent advancements in docking, molecular simulations, and machine learning have made it possible to better understand how peptids interact with proteins. Docking programs and force fields have been developed to predict structures, binding affinities, and kinetic properties of peptid-protein complexes. These tools allow researchers to gain insight into the mechanisms behind peptid-mediated protein interactions which could lead to new treatments for diseases. This article was authored by Arab Mondal, Dewey Chong, and Alberto Perez.