Research
Outline of Research
The goal of our research efforts is to elucidate the principle of three- dimensional structures and functions of biomolecules,proteins and nucleic acids,from the viewpoint of theoretical and computational science. There are two different approaches to the goal,bioinformatics based on information science and molecular simulations as one of the physicochemical methods. A bioinformatics study investigates the relationship between structures and functions of biomolecules through comparison and classification of their three-dimensional structures in databases. On the other hand,a molecular simulation study tries to analyze relationship between molecular dynamics and functions based on the theory of chemical physics. Our strategy is to combine bioinformatics and molecular simulation. We are expecting that this combination will bring a new possibility to theoretical studies in molecular biology.
We are also working on integrating machine learning methods with molecular simulations and experimental data to promote drug discovery and structural biology. In particular, we focus on combining reinforcement learning and optimization methods with molecular simulation to improve its computational speed and efficiency. Our research also includes applications of deep learning, such as systems for cytological diagnosis, monitoring systems for the marine environment, and methods to support the aquaculture industry.
Selected researches
In Silico Drug design based on reinforcement learning and dockig simulation. (Journal of Chemical Information and Modeling 2021)
Egg quality prediction in Pacific bluefin tuna (Thunnus orientalis) by deep neural network toward efficient aquaculture. (Scientific Reports 2021)