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What is HPC?

What is High-Performance Computing (HPC)?

High-performance computing (HPC) refers to the use of advanced computing systems to solve complex problems that would be extremely inefficient on standard hardware. These systems are characterized by their ability to process large amounts of data at extremely high speeds, enabling them to solve computationally intensive tasks. HPC systems typically consist of interconnected clusters of servers, each equipped with multiple processors and large amounts of memory. This architecture allows for parallel processing, where multiple calculations are performed simultaneously, significantly accelerating computation times.

HPC in Cheminformatics: The Power Behind Drug Discovery

HPC is revolutionizing cheminformatics by enabling researchers to tackle complex challenges at unprecedented speeds. From molecular simulations to virtual screening, HPC empowers scientists and researchers to explore vast chemical spaces and identify promising drug candidates more efficiently.

  • Molecular Simulations: Helps accelerates the modeling and simulation of molecular interactions, providing insights into drug-target binding and behavior.
  • Virtual Screening: By processing massive compound libraries rapidly, researchers and scientists can identify potential drug candidates for further investigation.
  • Data Analysis: Helps handle large datasets generated in drug discovery by efficiently extracting valuable information to guide research.

Discover HPSee by BioSolveIT

HPSee is specifically designed to leverage HPC for drug discovery. By integrating seamlessly with SeeSAR, HPSee offers a user-friendly interface for executing complex virtual screening campaigns. Key benefits of HPSee include:

  • Efficient virtual screening: Rapidly screen large compound libraries against target proteins.
  • Scalability: Utilize available hardware resources for optimal performance.
  • Integration with SeeSAR: Seamless workflow management and data analysis.


    • Ready to harness the power of HPC for your drug discovery projects? Learn more about HPSee and how it can drive your research forward.
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Further Reading

Review on the perspective of drug design with high-performance computing
Perspective of drug design with high-performance computing
Zhe Li.; Hui Li.; Kunqian Yu.; Hai-Bin Luo.
Perspective of drug design with high-performance computing, National Science Review. Volume 8, Issue 12, December 2021, nwab105.