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
BIOiSIMTM represents a groundbreaking 'virtual drug development engine' that significantly enhances the drug development sector by effectively identifying drug compounds that are most likely to provide meaningful therapeutic benefits for various diseases or conditions. We provide an array of translational solutions that are tailored to meet the specific needs of your pre-clinical and clinical initiatives. Central to our offerings is the highly validated BIOiSIMTM platform, which supports the development of small molecules, large molecules, and viruses. This innovative platform is underpinned by extensive data derived from thousands of compounds across seven different species, resulting in a level of robustness that is uncommon in the field. Emphasizing human health outcomes, the heart of the platform features a translatability engine that seamlessly converts insights gained from different species. Importantly, the BIOiSIMTM platform can be deployed prior to the initiation of preclinical animal trials, facilitating earlier insights and potentially reducing the costs associated with outsourced experimentation. By integrating these advanced capabilities, we aim to streamline the drug development process and accelerate the journey from discovery to market.
API Access
Has API
API Access
Has API
Integrations
No details available.
Integrations
No details available.
Pricing Details
No price information available.
Free Trial
Free Version
Pricing Details
No price information available.
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
VERISIMLife
Country
United States
Website
www.verisimlife.com/our-platform/