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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 Data serves as a marketplace for data products, instilling trust through data contracts and facilitating the discovery of essential data for business needs via an intuitive user interface, semantic search, and advanced filtering options tailored for data products. It efficiently supports the entire data access lifecycle in a self-service manner, allowing consumers to request access, enabling owners to approve or deny these requests, and providing integration options to automate permissions within the data platform. The platform is structured into three main components: Marketplace, Studio, and Governance, which collectively offer data consumers a centralized location for discovering and requesting data products, while granting product owners and developers the tools to create, modify, and oversee their offerings. Additionally, it provides stewards, managers, and platform teams with the means to establish overarching policies and derive valuable insights from the platform. Entropy Data encompasses a wide range of functionalities, managing everything from data products and contracts to access requests, business definitions, assets, domains, teams, source systems, example data, events, certifications, and change management, along with notifications to keep stakeholders informed. This comprehensive approach ensures that all aspects of data product management are effectively addressed, fostering a collaborative environment among all users involved.
API Access
Has API
API Access
Has API
Integrations
Microsoft Excel
Model Context Protocol (MCP)
SQL
Snowflake
Pricing Details
No price information available.
Free Trial
Free Version
Pricing Details
$109 per month
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
Entropy Data
Country
Germany
Website
entropy-data.com
Product Features
Product Features
Data Management
Customer Data
Data Analysis
Data Capture
Data Integration
Data Migration
Data Quality Control
Data Security
Information Governance
Master Data Management
Match & Merge
