Home＞Research＞Team＞in-silico Drug Design Team＞Outline of research
Molecular simulation team
Outline of research
Development of software for structure-guided drug development and its applications
We have developed original software for structure-guided drug development (myPresto and other tools) and compound database. We can customize and develop computer software for special purpose in drug development. We have applied our methods to several tens target proteins including protein-protein interaction inhibitors and have got several hundred active compounds and lead compounds. We can realize new methodologies that cannot be realized by commercial products.
Applications
・Lead optimization
・Drug design for increasing activity and decreasing side effects
・Modeling and simulation of protein systems