In the Computational Biology Laboratory, we conduct researches to clarify the mechanisms with which proteins exert their functions, making full use of computers. We use various methodologies in the field of computational biology, including bioinformatics, molecular simulations, and machine learning, in these researches. The researches include analysis of catalytic mechanisms of enzymes using quantum chemical calculations, analysis of protein function mechanisms using molecular dynamics (MD) simulations, development and application of coarse-grained MD methods, and protein function prediction using machine learning methods. We also actively conduct collaborative researches with experimental researchers.