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What is Aurora Drug Discovery?

Aurora applies concepts from quantum mechanics and thermodynamics alongside an advanced continuous water model to evaluate solvation effects when determining the binding affinities of ligands. This approach is notably different from the conventional scoring functions that are commonly used to predict binding affinities. By incorporating both entropy and aqueous electrostatic elements into their calculations, the algorithms developed by Aurora provide notably more accurate and dependable estimates of binding free energies. The binding free energy, a key thermodynamic measure, fundamentally dictates the interaction between a ligand and a protein and is directly associated with the experimentally measurable inhibition constant (IC50). Various elements, such as electrostatic interactions, quantum phenomena, solvation dynamics, and the statistical behavior of molecules, all play a role in influencing this free energy (F). The non-additive characteristics of F arise primarily from two key components: the synergistic effects of electrostatic and solvation energies, as well as the entropy present in the system. Gaining a comprehensive understanding of these factors enhances the insight into the molecular interactions that are crucial for effective drug design and development.

What is AIDDISON?

AIDDISONâ„¢ is an innovative drug discovery software that harnesses the capabilities of artificial intelligence (AI), computer-aided drug design (CADD), and machine learning (ML) to offer an essential toolkit for medicinal chemistry. This comprehensive platform seamlessly integrates various facets of virtual screening, encompassing both ligand-based and structure-based design approaches. Additionally, it facilitates advanced techniques for in silico lead optimization and discovery, ensuring that researchers have access to cutting-edge resources for their projects. By streamlining the drug discovery process, AIDDISONâ„¢ significantly enhances the efficiency and effectiveness of medicinal chemistry endeavors.

Media

Media

No images available

Integrations Supported

Additional information not provided

Integrations Supported

Additional information not provided

API Availability

Has API

API Availability

Has API

Pricing Information

Pricing not provided.
Free Trial Offered?
Free Version

Pricing Information

Pricing not provided.
Free Trial Offered?
Free Version

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Company Facts

Organization Name

Aurora Fine Chemicals

Date Founded

1990

Company Location

United States

Company Website

aurorafinechemicals.com/drug-discovery-software.html

Company Facts

Organization Name

Merck KGaA

Date Founded

1668

Company Location

Germany

Company Website

www.sigmaaldrich.com/US/en/services/software-and-digital-platforms/aiddison-ai-powered-drug-discovery

Categories and Features

Categories and Features

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