Chiral Inc. (Headquarters: Fukuoka City, Fukuoka Prefecture, CEO: Wang Qin, hereinafter referred to as 'Chiral'), which develops platforms to streamline research and development processes through cloud computing and promote scientific innovation, announces that its cloud solution for scientific software, 'Chiral SaaS,' is now available for use with the drug design (pharmaceutical molecular design) package software 'MolDesk' (version 1.1.95).
This allows complex scientific calculations previously performed in local environments to be easily migrated to cloud GPU environments, significantly improving the efficiency of time and computational costs required for molecular simulations.
Currently, computational simulations for drug discovery require expensive hardware and specialized knowledge, and securing computational resources poses significant challenges. Particularly, there is limited room to undertake challenging research, and resource shortages are hindering innovation.
Simulation Description | Performance (ns/day) | Cost for 1-ns simulation (¥) | Cost for 100-ns simulation (¥)
| Simulation Description | Performance (ns/day) | Cost for 1-ns simulation (¥) | Cost for 100-ns simulation (¥) |
|---|---|---|---|
| 6,000 atoms, protein and ligand, equilibration (LIGAND CMET EQ) | 192.351 | 75 | 7,487 |
| 36,000 atoms, protein and ligand, equilibration (HIF2A EQ) | 102.306 | 141 | 14,076 |
| 67,000 atoms, protein and ligand, equilibration (CMET) | 55.020 | 262 | 26,173 |
MolDesk is a drug design (pharmaceutical molecular design) package software developed by IMSBIO. It uses myPresto5™ as its computational engine, allowing MD calculations and trajectory analysis with GROMACS for any biomolecule in the PDB. For more details, please visit https://www.moldesk.com.
Chiral Inc. provides backend functionality as SaaS to enable cloud computing for software in fields such as life sciences and drug discovery, which require extensive computational processing.
Chiral Inc.
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