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What is Thermo-Calc?

Thermo-Calc serves as a sophisticated thermodynamic modeling software that is employed by materials scientists and engineers to extract critical data about material properties, enhance their comprehension of materials, elucidate specific phenomena, and tackle focused questions related to particular materials and their processing methods. The software includes an array of standard calculators available with all licenses, such as the Equilibrium Calculator, Scheil Solidification Simulations, Property Model Calculator, General Model Library, Material to Material Calculator, Pourbaix Diagram Module, and the Data Optimization Module (PARROT). Users can also expand Thermo-Calc's functionalities through various Add-on Modules and gain access to over 40 databases, all integrated into a unified platform that promotes an efficient working environment. This software is capable of calculating the state of a specified thermodynamic system, providing crucial insights into phase quantities and compositions, transformation temperatures, solubility limits, and the forces driving phase formation, among other essential metrics. In addition, Thermo-Calc empowers users to conduct innovative research and development in the field of materials science by allowing for the simulation of diverse scenarios and accurate prediction of outcomes. With its comprehensive features, the software stands as a vital resource for advancing knowledge and techniques in materials engineering.

What is Aurora Drug Discovery?

Aurora applies concepts from quantum mechanics and thermodynamics alongside an advanced continuous water model to evaluate solvation effects when determining the binding affinities of ligands. This approach is notably different from the conventional scoring functions that are commonly used to predict binding affinities. By incorporating both entropy and aqueous electrostatic elements into their calculations, the algorithms developed by Aurora provide notably more accurate and dependable estimates of binding free energies. The binding free energy, a key thermodynamic measure, fundamentally dictates the interaction between a ligand and a protein and is directly associated with the experimentally measurable inhibition constant (IC50). Various elements, such as electrostatic interactions, quantum phenomena, solvation dynamics, and the statistical behavior of molecules, all play a role in influencing this free energy (F). The non-additive characteristics of F arise primarily from two key components: the synergistic effects of electrostatic and solvation energies, as well as the entropy present in the system. Gaining a comprehensive understanding of these factors enhances the insight into the molecular interactions that are crucial for effective drug design and development.

Media

Media

Integrations Supported

HTML

Integrations Supported

HTML

API Availability

Has API

API Availability

Has API

Pricing Information

Pricing not provided.
Free Trial Offered?
Free Version

Pricing Information

Pricing not provided.
Free Trial Offered?
Free Version

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Company Facts

Organization Name

Thermo-Calc

Date Founded

1997

Company Location

Sweden

Company Website

thermocalc.com/products/thermo-calc/

Company Facts

Organization Name

Aurora Fine Chemicals

Date Founded

1990

Company Location

United States

Company Website

aurorafinechemicals.com/drug-discovery-software.html

Categories and Features

Categories and Features

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