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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 

Screenshots View All

Screenshots View All

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

Product Features

Product Features

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