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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
Quandela Cloud provides a comprehensive array of features. To begin with, extensive documentation guides you through Perceval, which serves as our photonic quantum computing framework. Since Perceval utilizes Python as its programming language, coding on Quandela’s quantum processing units (QPUs) becomes a straightforward task. In addition, users can take advantage of a variety of unique algorithms that have already been developed, including those for resolving partial differential equations, data clustering, generating certified random numbers, addressing logistical challenges, and analyzing molecular properties, among others. Furthermore, the current status and specifications of Quandela’s QPUs are readily accessible, allowing you to select the most suitable unit for your needs. After choosing a QPU, you can execute your job and monitor its progress through an intuitive job tracking interface. This streamlined process ensures that users can efficiently engage with quantum computing technology.
API Access
Has API
API Access
Has API
Integrations
No details available.
Integrations
No details available.
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
Aurora Fine Chemicals
Founded
1990
Country
United States
Website
aurorafinechemicals.com/drug-discovery-software.html
Vendor Details
Company Name
Quandela
Founded
2017
Country
France
Website
www.quandela.com/cloud/