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Average Ratings 0 Ratings

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ease
features
design
support

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Write a Review

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

SpecFlow simplifies the test automation process by fostering collaboration within the team, enabling each member to leverage their unique abilities more effectively. Instead of spending time hunting for the right definitions within your binding classes, you can simply right-click to navigate directly to the corresponding code. Additionally, you can utilize hooks, or event bindings, to implement extra automation logic at designated moments, such as performing necessary setup before a scenario runs. The framework also incorporates a dependency injection system that facilitates the creation and injection of context into scenarios. This capability allows for the organization of shared state within context classes, making it easy to inject them into every binding class that requires access to that common state. By streamlining these processes, SpecFlow enhances overall efficiency and collaboration in testing efforts.

API Access

Has API

API Access

Has API

Screenshots View All

Screenshots View All

Integrations

.NET
AWS CodeBuild
AppVeyor
Appium
Azure DevOps Server
Bamboo
Bitbucket
BrowserStack
Buddy
CircleCI
CloudBees
Git
Jenkins
NCrunch
Octopus Deploy
Playwright
Sauce Labs
TestingBot
Visual Studio Code
Xamarin

Integrations

.NET
AWS CodeBuild
AppVeyor
Appium
Azure DevOps Server
Bamboo
Bitbucket
BrowserStack
Buddy
CircleCI
CloudBees
Git
Jenkins
NCrunch
Octopus Deploy
Playwright
Sauce Labs
TestingBot
Visual Studio Code
Xamarin

Pricing Details

No price information available.
Free Trial
Free Version

Pricing Details

Free
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

SpecFlow

Country

Austria

Website

specflow.org

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Product Features

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