20240038325. Reverse Virtual Screening Platform and Method based on Programmable Quantum Computing simplified abstract (ZHEJIANG LAB)
Reverse Virtual Screening Platform and Method based on Programmable Quantum Computing
Organization Name
Inventor(s)
Zhipeng Zhong of Hangzhou (CN)
Jianshun Tang of Hangzhou (CN)
Reverse Virtual Screening Platform and Method based on Programmable Quantum Computing - A simplified explanation of the abstract
This abstract first appeared for US patent application 20240038325 titled 'Reverse Virtual Screening Platform and Method based on Programmable Quantum Computing
Simplified Explanation
The patent application describes a reverse virtual screening platform and method that utilizes programmable quantum computing. The method involves the following steps:
- Step 1: Calculating a binding interaction graph between a given micromolecule and a target protein molecule based on different distances between pharmacophores.
- Step 2: Encoding the binding interaction graph into a quantum reverse virtual screening platform using an adjacency matrix decomposition.
- Step 3: Performing Gaussian boson sampling using the quantum reverse virtual screening platform.
Potential applications of this technology:
- Drug discovery: The reverse virtual screening platform can be used to efficiently identify potential drug candidates by analyzing the binding interaction between micromolecules and target proteins.
- Protein engineering: The platform can aid in designing and optimizing protein structures for specific functions by analyzing the binding interactions.
- Material science: The technology can be applied to screen and analyze the interactions between molecules for the development of new materials with desired properties.
Problems solved by this technology:
- Time and resource efficiency: The use of programmable quantum computing allows for faster and more efficient screening of potential drug candidates compared to traditional methods.
- Accurate prediction: The platform provides a more accurate prediction of binding interactions between micromolecules and target proteins, aiding in the selection of promising candidates for further study.
Benefits of this technology:
- Accelerated drug discovery: The reverse virtual screening platform can significantly speed up the process of identifying potential drug candidates, reducing the time and cost involved in drug development.
- Improved accuracy: By leveraging programmable quantum computing, the platform can provide more accurate predictions of binding interactions, leading to better selection of drug candidates with higher chances of success.
- Versatility: The technology can be applied to various fields beyond drug discovery, such as protein engineering and material science, offering a wide range of potential applications.
Original Abstract Submitted
the application discloses a reverse virtual screening platform and method based on programmable quantum computing, the method includes the following steps: s1, for a given micromolecule and a target protein molecule, calculating a binding interaction graph of the given micromolecule and the target protein molecule on a computer according to different distances between pharmacophores; s2, encoding, according to an adjacency matrix of the binding interaction graph, the binding interaction graph into a quantum reverse virtual screening platform by decomposing the adjacency matrix; and s3, performing gaussian boson sampling by the quantum reverse virtual screening platform. the reverse virtual screening platform and method based on programmable quantum computing provided by the present application are implemented by an optical quantum computer system based on a time domain.
