Average Ratings 0 Ratings
Average Ratings 0 Ratings
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
Aurora represents a groundbreaking web-based Smart Warehouse System built on HTML5 technology. This contemporary application functions seamlessly across nearly any web-enabled desktop or mobile browser. While we can set up Aurora on your organization's internal servers, for maximum convenience, it can also operate from the cloud. With no installation or updates required, you can oversee your warehouse inventory from any internet-connected device, no matter where you are in the world. Additionally, this flexibility ensures that you can respond to operational needs swiftly and efficiently.
API Access
Has API
No
API Access
Has API
No
Integrations
No details available.
Integrations
No details available.
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
Yes
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
Yes
Vendor Details
Company Name
Aurora Fine Chemicals
Founded
1990
Country
United States
Website
aurorafinechemicals.com/drug-discovery-software.html
Vendor Details
Company Name
Smart Warehouse Systems
Country
United Kingdom
Website
www.smartwarehouse.com
Product Features
Product Features
Warehouse Management
3PL Management
Yes
Barcoding / RFID
Yes
Category Customization
No
Channel Management
No
Demand Planning
No
Inventory Management
No
Location Control
Yes
Order Management
No
Purchasing
No
Quality Control
No
Receiving / Putaway Management
No
Returns Management
No
Shipping Management
No