Computation-Driven Drug Discovery Innovation

Our team members are from both academia and the pharmaceutical industry, with professional knowledge and experience in biomedicine and IT industry

Adhere to technological innovation, we own independent IP rights, national patents, software copyright, SCI papers, supported by Aliyun and Tianhe II.

We have successfully provided products and services for hundreds of units at home and abroad, including biopharmaceutical enterprises, scientific research institutions, universities, laboratories, etc.

AlphaC is a software for generating 3D conformations of small molecules. It can quickly and efficiently generate multi-conformation sets including potential bioactive conformations. AlphaC has its own high-quality conformation compression technology, which reduces the disk space required for conformation storage by 500-1000 times. It provides a solution for the storage and utilization of large-scale molecular conformation database.

AlphaS is a drug virtual screening software based on the similarity of molecular 3D structure or pharmacophore, which belongs to the ligand-based virtual screening method. It can identify potential bioactive compounds quickly based on small molecular structure or pharmacophore. AlphaS is suitable for discovering novel structural skeletons of active molecules, helping to break through patent protection or determine new patent protection scope. The composite structure based on AlphaS can also be used for 3D-QSAR and molecular docking preparation. AlphaS provides CPU version, CPU / GPU version.

Schrödinger is a professional molecular simulation software, which provides users with powerful and flexible functions. It is a complete software package to solve the challenges in drug research. It can be used for ligand-based drug design, molecular docking, pharmacophore and 3D-QSAR, biomolecular structure simulation, target-based drug design, and ADME property prediction. Molecules like protein, sugar, nucleic acid, and peptide are applicable.