Category: blog

  • Run Molecular Dynamics Simulations in the Cloud as Fast as 1139 ns/day, as Cost-effective as $29/μs: Benchmarking GROMACS on Fovus

    Run Molecular Dynamics Simulations in the Cloud as Fast as 1139 ns/day, as Cost-effective as $29/μs: Benchmarking GROMACS on Fovus

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    GROMACS has revolutionized molecular dynamics (MD) simulations by empowering researchers to simulate molecular interactions across biology, chemistry, and materials science, driving advancements in protein folding, drug discovery, material design, and nanotechnology. However, running GROMACS on cloud GPUs presents significant scalability and cost challenges. GPUs are among the most in-demand resources in the cloud, making them difficult…

  • Revolutionizing Protein Structure Prediction with AI and HPC: Utilizing AlphaFold

    Revolutionizing Protein Structure Prediction with AI and HPC: Utilizing AlphaFold

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    Predicting protein structures accurately has long been a significant challenge in biological research. Proteins, essential to nearly all biological processes, derive their functions from their three-dimensional structures. Understanding these structures enables drug discovery, genetic research, and biotechnology advancements. However, determining protein structures experimentally through methods like X-ray crystallography, nuclear magnetic resonance (NMR) spectroscopy, or cryo-electron…

  • Transforming Computational Drug Discovery: Chemspace and Fovus

    Transforming Computational Drug Discovery: Chemspace and Fovus

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    Chemspace Chemspace is a leader in the chemical compound marketplace and end-to-end computational chemistry services. Home to Enamine xREAL and Freedom Spaces – the world’s most extensive collection of commercially available chemical compounds with over 5 trillion molecules – Chemspace supports industries spanning biotechnology, life sciences, chemistry, and pharmaceuticals. By leveraging its vast database of…