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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
F3D serves as a rapid and streamlined 3D visualization tool that accommodates a variety of file formats ranging from digital assets to scientific data, such as glTF, STL, STEP, PLY, OBJ, FBX, and Alembic, while also enabling animation playback and offering an extensive array of rendering and texturing capabilities, including real-time physically based rendering and ray tracing. This versatile viewer is entirely manageable through command line inputs and supports configuration files, allowing for the generation of thumbnails, interactive hotkeys, drag-and-drop functionality, and seamless integration with file managers. In addition to its viewing capabilities, F3D features the libf3d library, which provides a straightforward means of rendering meshes and includes bindings for both C++ and Python, along with experimental bindings for Java and JavaScript as well. Furthermore, the user-friendly interface ensures that both novice and experienced users can easily navigate and utilize its features effectively.
API Access
Has API
API Access
Has API
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Integrations
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Integrations
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Pricing Details
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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
F3D
Website
f3d.app