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What is InQuanto?

Quantum computing enables the rapid and economical development of new molecules and materials, revolutionizing the way we approach these challenges. InQuanto, a state-of-the-art platform for quantum computational chemistry, represents a significant leap forward in this endeavor. The discipline of quantum chemistry aims to accurately define and predict the fundamental characteristics of different materials, proving essential for the creation and design of innovative substances. However, the complexity of molecules and materials relevant to industry introduces hurdles that complicate precise simulation efforts. Existing technologies often force a trade-off, requiring users to select between employing highly accurate techniques on small systems or accepting less precise approximations. With its flexible workflow, InQuanto allows both computational chemists and quantum algorithm developers to effectively combine advanced quantum algorithms with intricate subroutines and error correction methods, thereby optimizing results on current quantum hardware. This adaptability not only improves research findings but also cultivates collaboration among specialists in the field, thereby propelling further advancements in quantum chemistry and material science. The ongoing exchange of ideas and methodologies within this community is vital for overcoming the existing limitations and unlocking the full potential of quantum computing in material innovation.

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

Azure Marketplace

Integrations Supported

API Availability

API Availability

Pricing Information

Pricing not provided

Pricing Information

Pricing not provided

Supported Platforms

Windows
Mac
Linux

Supported Platforms

SaaS

Customer Service / Support

Web-Based Support

Customer Service / Support

Standard Support
Web-Based Support

Training Options

Documentation Hub
Webinars
Online Training

Training Options

Not specified

Company Facts

Organization Name

Quantinuum

Company Location

United States

Company Website

www.quantinuum.com/computationalchemistry/inquanto

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

Chemical

Not specified

Materials Science

Not specified

Quantum Computing

Not specified

Categories and Features

Drug Discovery

Not specified

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