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Ratings and Reviews 0 Ratings
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What is Khimera?
Khimera is a powerful software application that aids in identifying the kinetic parameters relevant to microscopic processes, as well as elucidating the thermodynamic and transport properties of diverse substances and their mixtures in gases, plasmas, and at gas-solid interfaces. This tool is primarily utilized by engineers and researchers dedicated to creating kinetic models and conducting thermodynamic and kinetic simulations in areas such as chemical engineering, combustion, catalysis, metallurgy, and microelectronics. Notably, Khimera excels in multi-scale modeling by linking the essential molecular properties of individual molecules to the ensemble-averaged characteristics of the reactive medium, thereby encompassing both thermodynamic and transport attributes alongside the rates of chemical reactions. Moreover, the software facilitates the incorporation of quantum-chemical simulation outcomes, permitting users to extract properties without the need for any experimental data on their part. By effectively connecting different modeling scales, Khimera significantly advances the comprehension of intricate systems across numerous scientific fields, fostering innovation and progress in research and development. This capacity to integrate various modeling approaches not only broadens its usability but also enhances the overall analytical framework within which scientists can operate.
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.
Integrations Supported
Additional information not provided
Integrations Supported
Additional information not provided
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
Kintech Laboratory
Company Location
Russian Federation
Company Website
www.kintechlab.com/products/khimera/
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
Certificates of Analysis
Chemical Process Simulation
Computer-Assisted Structure Elucidation (CASE)
ISO Management
Inventory Management
Particle Tracking
Reporting & Statistics
Samples Tracking
Traceability
Uncertainty Analysis
Computer-Aided Engineering (CAE)
CAD/CAM Compatibility
Finite Element Analysis
Fluid Dynamics
Import / Export Files
Integrated 3D Modeling
Manufacturing Process Simulation
Mechanical Event Simulation
Multibody Dynamics
Thermal Analysis