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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
OmniTrak stands out as the premier software solution for analyzing 3D charged-particle devices. This sophisticated program merges finite-element techniques with cutting-edge interpolation methods, ensuring rapid and precise orbit computations. The comprehensive packages offered by OmniTrak encompass a wide range of functionalities, including mesh generation, field solution, particle initiation, orbit tracking, and thorough analysis. Its versatility extends to various fields, such as high-power microwave sources, vacuum microelectronics, photomultipliers, particle accelerators, and both electrostatic and magnetostatic spectrometers, as well as electron microscopes and ion-mobility spectrometers. The suite comprises ten key components, such as Geometer for constructing 3D structures interactively, MetaMesh for the automatic creation of conformal hexahedron meshes, and HiPhi for generating electrostatic solutions interactively or through command control. Additionally, users can leverage PhiView for electric field visualization and analysis, while MagWinder assists in the construction of intricate 3D drive coil assemblies, showcasing the extensive capabilities of the OmniTrak software. Overall, OmniTrak is an indispensable tool for researchers and engineers in the field of charged-particle device analysis.
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
$1490
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
Field Precision LLC
Founded
1992
Country
United States
Website
www.fieldp.com
