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Description
Our innovative AI engine is revolutionizing the drug discovery process, enabling the creation of superior medications at an accelerated pace. The breakthroughs we achieve contribute to the development of medicines more efficiently and effectively. Our portfolio of AI-driven discoveries encompasses entirely owned and collaboratively developed pipeline assets, supported by leading investors in the industry. Atomwise has engineered a cutting-edge machine-learning discovery platform that merges the capabilities of convolutional neural networks with extensive chemical libraries to identify new small-molecule treatments. The key to transforming drug discovery through AI lies in our talented team. We are committed to enhancing our AI platform and leveraging it to revolutionize the discovery of small molecule drugs. It is essential that we confront the most daunting and seemingly insurmountable targets, streamlining the entire drug discovery process to provide developers with increased opportunities for success. Enhanced computational efficiency allows us to screen trillions of compounds virtually, significantly boosting the chances of finding viable solutions. Our impressive model accuracy has successfully addressed the persistent issue of false positives, underscoring the reliability of our approach. Ultimately, our dedication to innovation and excellence sets us apart in the quest for breakthrough therapies.
Description
Aurora utilizes principles of quantum mechanics and thermodynamics alongside a sophisticated continuous water model to assess the solvation effects on ligand binding affinities. This methodology is significantly different from the traditional scoring functions typically employed for predicting binding affinities. By integrating entropy and aqueous electrostatic contributions directly into the computations, Aurora's algorithms yield far more precise and reliable binding free energy values. The interaction between a ligand and a protein is fundamentally defined by the binding free energy value. This free energy (F) serves as a thermodynamic measure that correlates directly with the experimentally determined inhibition constant (IC50), influenced by factors such as electrostatic interactions, quantum effects, aqueous solvation forces, and the statistical characteristics of the molecules involved. Non-additivity in F arises primarily from two key components: the electrostatic and solvation energy, and the entropy, which together contribute to the complexity of ligand-protein interactions. Understanding these contributions is essential for the accurate prediction of binding affinities in drug design and molecular biology.
API Access
Has API
API Access
Has API
Integrations
No details available.
Integrations
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Pricing Details
No price information available.
Free Trial
Free Version
Pricing Details
No price information available.
Free Trial
Free Version
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Vendor Details
Company Name
Atomwise
Founded
2012
Country
United States
Website
www.atomwise.com
Vendor Details
Company Name
Aurora Fine Chemicals
Founded
1990
Country
United States
Website
aurorafinechemicals.com/drug-discovery-software.html