Fujitsu and RIKEN start joint research on next-generation IT drug discovery technology using the supercomputer Fugaku and simulation integrated AI

17 May 2022 | Tuesday | News

Fujitsu Limited and RIKEN today launched a joint research project on next-generation IT drug discovery technology utilizing the supercomputer Fugaku(1), aiming to accelerate DX (digital transformation) in drug discovery, explore promising new areas in this process, and dramatically reduce development period and costs for new drug development.
Image Source : Public Domain

Image Source : Public Domain

The joint research project will leverage high performance computing technologies and the supercomputer Fugaku to accelerate simulation integrated AI that combines Fujitsu's DeepTwin AI technology, which accurately acquires quantitative features from complex data by unsupervised learning, with molecular dynamics simulation using RIKEN's AI drug discovery simulation technology. It is expected that this approach makes it possible to improve the accuracy and speed of molecular simulation and establish innovative technologies that can predict changes in the structure of target proteins over a wide range.

Based on this research, the two parties aim to develop a next-generation IT drug discovery technology with world-leading capabilities by the end of fiscal 2026. Fujitsu and RIKEN anticipate that this technology will perform analysis of target protein and drug candidate molecule complex and predict large-scale structural changes of molecules with high speed and high accuracy to contribute to the development of middle-molecular drugs and large-molecular drugs, which are expected to have high efficacy and low side effects.


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