Thoth Biosimulations
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08/27/2024
🚀 Breakthrough in Cancer Research by Thoth Biosimulations' CEO, Dr. Khaled Barakat, and His Team! 🎉
We're excited to share that Dr. Khaled Barakat and his team have identified a small molecule drug that could harness T-cells to fight cancer more effectively and safely. Using generative AI, the team is creating custom molecules that target cancer with precision, minimizing side effects.
This discovery marks a promising step in the drug development journey. Additionally, the team is using AI to salvage drugs previously taken off the market due to side effects—a transformative approach to drug design.
Read more about this exciting development!
Here is the link for the article: https://conta.cc/4e2j4Y2
Small molecule drug could combat cancer, U of A research finds - The Gateway Research from U of A professor Khaled Barakat has presented the possibility of a small molecule drug to combat cancer.
08/08/2024
🚀 We specialize in automating protein design and engineering using generative AI. Our expertise includes creating novel ligand-binding sites, designing enzymes from scratch, and optimizing their efficiency through directed evolution.
🔬 Using conformational dynamics, evolutionary insights, and machine learning, we push the boundaries of computational enzyme design. By combining structure-based modeling with deep learning, we identify optimal sequences and predict protein stability post-mutation. Join us in revolutionizing protein engineering! 🔧🧬
We combine AI with molecular modelling tools to develop sophisticated molecular models for various biological systems at their physiological conditions. Whether your target is a membrane protein or a cytosolic protein, a protein-DNA/RNA or a small molecule complex, we can model that under your specific experimental conditions. Our molecular modelling services include building multiscale molecular dynamics simulations, ranging from all-atom to coarse-grained to continuum simulations, depending on your research problem. Our molecular modelling services also include various conformational sampling algorithms, such as umbrella sampling and well-tempered metadynamics. Our goal is to build a comprehensive model that can answer your research question in the proper time scale of your specific biological process.
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