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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
Aurora™, the world's most advanced intelligent planning and scheduling software, uses advanced artificial intelligence. It was originally designed to assist NASA in tackling difficult, mission-critical scheduling issues with complex constraints. It incorporates the experience and judgment of human schedulers. Aurora is especially effective when used to manage large projects with complex constraints or resource requirements. Aurora has been used by increasing numbers of organizations to manage their operations over the past 25 years. For Project Portfolio Management (PPM), Aurora has proven to be far more powerful than any other solution, including Primavera P6 and Microsoft Project.
API Access
Has API
API Access
Has API
Integrations
Microsoft Project
Oracle Primavera
SAP Ariba
Siemens Digital Logistics
Integrations
Microsoft Project
Oracle Primavera
SAP Ariba
Siemens Digital Logistics
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
Stottler Henke
Founded
1988
Country
United States
Website
www.stottlerhenke.com
Product Features
Product Features
Project Portfolio Management
Budget Management
Collaboration
Dashboard
Issue Management
Milestone Tracking
Portfolio Management
Project Planning
Requirements Management
Resource Management
Status Tracking
Task Management
Time & Expense Tracking
Scheduling
Alerts/Notifications
Appointment Scheduling
Automated Scheduling
Calendar Management
Class Scheduling
Employee Scheduling
Facility Scheduling
Group Scheduling
Interview Scheduling
Meeting Room Booking
Multi-Location
Online Scheduling
Payment Processing
Real-time Scheduling
Reservations
Resource Scheduling
Room Booking Management
