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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 Apache Aurora?

Aurora manages applications and services across a network of machines, ensuring they operate continuously without any interruptions. When machine failures occur, it intelligently reallocates tasks to the operational machines. For job updates, Aurora evaluates the health and current status of the deployment, allowing it to revert to a previous version if necessary. The system features a quota mechanism that ensures resource availability for specific applications while supporting multiple users who deploy various services. Customization is achieved through a domain-specific language (DSL) that offers templating capabilities, which helps users maintain consistent configurations and minimize redundancy. Additionally, Aurora informs Apache ZooKeeper about service availability, which aids in client discovery through frameworks like Finagle. This architecture not only improves reliability but also enhances resource management efficiency across a range of applications. Overall, Aurora's design emphasizes flexibility and responsiveness in a dynamic computing environment.

Media

Media

Integrations Supported

Integrations Supported

Apache Mesos
Beats
Cloud Ops Group
Kapacitor
Paessler PRTG Hosted Monitor
cBackup

API Availability

API Availability

Has API

Pricing Information

Pricing not provided

Pricing Information

Pricing not provided

Supported Platforms

SaaS

Supported Platforms

Windows
Mac
Linux

Customer Service / Support

Standard Support
Web-Based Support

Customer Service / Support

Not specified

Training Options

Not specified

Training Options

Documentation Hub

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

Apache Software Foundation

Date Founded

1999

Company Location

United States

Company Website

aurora.apache.org

Categories and Features

Drug Discovery

Not specified

Categories and Features

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