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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

Entropy offers a seamless, secure transition from your trusted circle to your digital assets in the event of an emergency. Security that is User-Friendly Entropy allows you to securely partition your important information into discrete share, which each do not reveal anything about your secret without the other. Distribute them to a small group of trusted people who can store them offline. Long-Term Resilience Entropy's robust security features include 256-bit encryption. This allows for decentralized, durable offline storage that protects your data against both online and offline threats.

API Access

Has API

API Access

Has API

Screenshots View All

Screenshots View All

Integrations

Amazon
Android
Apple iOS
Arch Linux
Backblaze
BitLocker
Bitcoin
Ethereum
MetaMask
Windows 11
iCloud
macOS Sonoma

Integrations

Amazon
Android
Apple iOS
Arch Linux
Backblaze
BitLocker
Bitcoin
Ethereum
MetaMask
Windows 11
iCloud
macOS Sonoma

Pricing Details

No price information available.
Free Trial
Free Version

Pricing Details

$24.99
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

Quantum Entropy

Founded

2023

Country

Australia

Website

entropykey.com

Product Features

Product Features

Alternatives

Alternatives

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