Research Directors / Research Themes
Hierarchical Modeling of Interactions Among Biomolecules
We aim to construct the integrated simulation system for the prediction of biomolecular complexes and the analysis of their functional mechanisms. This novel simulation method gradually shifts from coarse-grained models to the finer-grained ones, selecting more possible candidates from a large number of model complex structures and then accessing a small number of candidates accurately. Thus we intend to realize effective and accurate modeling of protein-ligand and protein-protein interactions.