Aurora Drug DiscoveryAurora Fine Chemicals
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About
Aurora employs quantum mechanics, thermodynamics, and an advanced continuous water model for solvation effects to calculate ligand´s binding affinities. This approach differs dramatically from scoring functions that are commonly used for binding affinity predictions. By including the entropy and aqueous electrostatic contributions in to the calculations directly, Aurora algorithms produce much more accurate and robust values of binding free energies. Interaction of a ligand with a protein is characterized by the value of binding free energy. The free energy (F) is the thermodynamic quantity that is directly related to experimentally measurable value of inhibition constant (IC50) and depends on electrostatic, quantum, aqueous solvation forces, as well as on statistical properties of interacting molecules. There are two major contributing quantities leading to non-additivity in F: 1) the electrostatic and solvation energy and 2) the entropy.
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About
FactSage is a comprehensive thermochemical software and database package developed jointly by Thermfact/CRCT (Montreal, Canada) and GTT-Technologies (Aachen, Germany). It integrates thermochemical packages, resulting from over 20 years of collaborative efforts. It comprises a series of information, database, calculation, and manipulation modules that access various pure substances and solution databases. FactSage is utilized by numerous industrial, governmental, and academic users in fields such as materials science, pyrometallurgy, hydrometallurgy, electrometallurgy, corrosion, glass technology, combustion, ceramics, and geology. Users have access to thermodynamic data for thousands of compounds, as well as evaluated and optimized databases for hundreds of solutions, including metals, oxides, slags, mattes, salts, and aqueous solutions.
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Audience
Pharmacies looking for a Drug Discovery solution
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Audience
Engineers in materials science and related fields needing a solution to analyze complex chemical systems and processes
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Support
Phone Support
24/7 Live Support
Online
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Support
Phone Support
24/7 Live Support
Online
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API
Offers API
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API
Offers API
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Screenshots and Videos |
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Pricing
No information available.
Free Version
Free Trial
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Pricing
No information available.
Free Version
Free Trial
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Reviews/
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Reviews/
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Training
Documentation
Webinars
Live Online
In Person
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Training
Documentation
Webinars
Live Online
In Person
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Company InformationAurora Fine Chemicals
Founded: 1990
United States
aurorafinechemicals.com/drug-discovery-software.html
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Company InformationFactSage
Founded: 2001
Canada
factsage.com/introduction/
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Integrations
No info available.
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Integrations
No info available.
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