My research interests 1) Artificial intelligence for drug design including deep learning, machine learning, etc 2) Software development for drug design such as MolAICal (https://molaical.github.io or https://molaical.gitee.io) 3) Molecular dynamics simulations 4) Studying the biological mechanism of proteins and ligands by molecular dynamics simulations, machine learning and deep learning methods, QM/MM, etc 5) Bioinformatics, cheminformatics, biomedical informatics, and computational biology 6) Drug design of kinases, G protein-coupled receptors, and so on