Drug Discovery Molecular Simulation Platform Unit
Location Osaka / Quantitative Biology Buildings
Please replace [at] with @.
This unit aims to use leading computational technologies using large-scale, high-speed supercomputers for in silico drug discovery. In particular, we are focusing on molecular simulation technologies to predict high-precision binding affinity, taking into account the dynamics of complex structures consisting of proteins and other low molecular compounds while in aqueous solution for better estimations on binding affinities and other drug efficacy parameters. Such studies will help identify drug behavior at the molecular level and help predict what structural formulas make for highly effective and selective drug candidates.
- Large-scale, high-speed super computing for in silico drug discovery
- In silico screening of drug compounds for protein targets
- Developing of high affinity compounds based on the simulations from (2)