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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

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

F3D

Website

f3d.app

Product Features

Product Features

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