Average Ratings 0 Ratings
Average Ratings 0 Ratings
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.
Description
We empower individuals to expand their vision, accelerate their creativity, and broaden their perspective. By integrating artificial intelligence and machine learning into our quantum solutions, we equip you with the tools necessary to tackle the most significant and urgent challenges facing our world today. Just as thermodynamics ignited the Industrial Revolution and electromagnetism paved the way for the information age, quantum computers are now leveraging the distinct data processing abilities afforded by quantum mechanics to drastically decrease the time and energy required for powerful computing applications. This marks the first groundbreaking advancement since the invention of the integrated circuit, positioning quantum computing to revolutionize every sector on a global scale. As this technology evolves, the disparity between innovators and those who follow will become increasingly challenging to bridge, emphasizing the critical need for timely adoption and adaptation. The future is bright for those who embrace these changes early on.
API Access
Has API
No
API Access
Has API
No
Integrations
Azure Marketplace
No
Bayesforge
No
Q-CTRL
No
Superstaq
No
Integrations
Azure Marketplace
Yes
Bayesforge
Yes
Q-CTRL
Yes
Superstaq
Yes
Pricing Details
No price information available.
Free Trial
No
Free Version
No
Pricing Details
No price information available.
Free Trial
No
Free Version
No
Deployment
Web-Based
Yes
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
No
Mac
No
Linux
No
Chromebook
No
Deployment
Web-Based
Yes
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
No
Mac
No
Linux
No
Chromebook
No
Customer Support
Business Hours
Yes
Live Rep (24/7)
No
Online Support
Yes
Customer Support
Business Hours
No
Live Rep (24/7)
No
Online Support
Yes
Types of Training
Training Docs
No
Webinars
No
Live Training (Online)
No
In Person
No
Types of Training
Training Docs
Yes
Webinars
No
Live Training (Online)
No
In Person
No
Vendor Details
Company Name
Aurora Fine Chemicals
Founded
1990
Country
United States
Website
aurorafinechemicals.com/drug-discovery-software.html
Vendor Details
Company Name
Rigetti Computing
Founded
2013
Country
United States
Website
www.rigetti.com