Facts & Questions

Facts & Questions

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How can I work with HTuO?

It's as simple as reaching out to us - we're here and ready to work with you on your drug design, screening or simulation projects. Reach out to us at info@htuobio.com

What information can I get from the AtomForge platform in High-Throughput mode?

AtomForge's High-thoughput mode uses our core physics and mathematical models to provide a score for the molecule in question. Because of the platform's high accuracy physics model, it is possible to correctly rank molecules as they interact with a target protein and to compare directly between molecules. However, because this mode does not include full solvation (but can include key water molecules), the score is not the full free energy calculation. We can provide information from the ranking of molecules all the way up to full interaction calculations, as desired.

What information can I get from the AtomForge platform in High-Accuracy mode?

AtomForge's High-accuracy mode builds on our core physics and mathematics to include Molecular Dynamics and Free Energy Perturbation. This allows us to compare drugs or simulate systems using fully solvated systems, bringing a wide full range of functionality to any drug design project.

Is your platform secure?

HTuO is set up to work on a variety of secure platforms, including both in-house on our secure servers or on single-use, cloud deployed secure locations to keep confidential information from touching our local servers. If you have questions about our platform, feel free to reach out to us to ask how we can help you and keep your information secure.

Does your platform use AI?

We do not use AI to generate results for our partners - our technology is physics driven, based on rigorously derived equations. However, we have used advanced ML and statistics methods to test and learn how to adapt our platform to ensure it meets our high standards of chemistry predictions. These techniques have allowed us to rapidly solve complex problems that have plagued our field for the past 40 years.

Does this compete with Generative AI Drug Discovery?

No, our technology is complementary to AI approaches. At a high level, Generative AI is used to come up with new ideas for drugs and propose new chemistry ideas, while HTuO's strength is in evaluating new ideas and working out which drug will work the best - and why it will work.

Are there advantages to AtomForge over using AI?

Absolutely! AI solutions require training data for each new protein of interest, where AtomForge's solution can work on any system, including those targets for which no drugs currently exist. AtomForge's high accuracy predictions and Molecular Dynamics implementation allows for deep insight generation: Not only do you get the right answer, but you also understand why and how the systems work.

Is this a Quantum Mechanics approach?

No, it’s based on traditional Newtonian physics. We understand that the goal of the simulations is to get as close to Quantum Mechanics (QM) as possible, without incurring the performance penalties associated with it. In this respect, we've solved a number of problems that let us get closer to this goal than our competitors.

Can I licence your software?

HTuO is not selling or licensing the software we have developed. However, if you’re interested in working with us to generate insight into a problem you’re working on, please reach out to us at info@htuobio.com. We’ll be happy to assist you.

Do you need a training set to work on a molecule or specific target?

No! Unlike AI, our platform is based entirely on physics. Our chemistry predictions are universally applicable, allowing AtomForge to simulate any system without any training data requirements at all.

Is this like Alphafold2?

Alphafold2 is a project that takes a genetic sequence and predicts the three-dimensional structure of proteins - usually with very good outcomes. That is one of the key breakthroughs of the genomics age, opening up the possibility of new targets and mechanisms for therapies for a variety of new diseases. However, our ability to make use of this trove of information is limited by our ability to truly understand and develop new drugs for these targets - exactly what HTuO is trying to do.