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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

Screenshots View All

Screenshots View All

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/

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Product Features

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