Thoth Biosimulations

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

Research from U of A professor Khaled Barakat has presented the possibility of a small molecule drug to combat cancer.

08/13/2024

🚀 Our team uses generative AI to uncover both on-target and off-target interactions for your molecules. Using proprietary reverse screening methods, we explore a diverse receptor database covering various protein families.

🔬 By integrating molecular dynamics, we delve into binding mechanisms and drug actions. Our expertise has led to the discovery of new applications for existing drugs and early detection of adverse reactions and toxicity. Partner with us to elevate your drug discovery efforts! 🔍💊

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! 🔧🧬

07/30/2024

🚀 Our Bioinformatics services encompass Genomics, Image Analysis, and Drug Design. Leveraging AI and machine learning, we delve into molecular processes to draw critical insights.

🔬 Our advanced sequence analysis tools swiftly and accurately decode DNA and protein sequences. Utilizing generative AI, we predict protein structures and explore their functions with precision. 🧬

Join us in revolutionizing the future of science and medicine!

06/07/2023

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.

05/09/2023

03/26/2023

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.