Ratings and Reviews 0 Ratings

Total
ease
features
design
support

This software has no reviews. Be the first to write a review.

Write a Review

Ratings and Reviews 0 Ratings

Total
ease
features
design
support

This software has no reviews. Be the first to write a review.

Write a Review

Alternatives to Consider

  • CLEAR Reviews & Ratings
    1 Rating
    Company Website
  • BrandMail Reviews & Ratings
    276 Ratings
    Company Website
  • RAD PDF Reviews & Ratings
    3 Ratings
    Company Website
  • Pylon Reviews & Ratings
    33 Ratings
    Company Website
  • Katana Cloud Inventory Reviews & Ratings
    226 Ratings
    Company Website
  • Device42 Reviews & Ratings
    173 Ratings
    Company Website
  • Encompassing Visions Reviews & Ratings
    13 Ratings
    Company Website
  • Google AI Studio Reviews & Ratings
    4 Ratings
    Company Website
  • Delska Reviews & Ratings
    14 Ratings
    Company Website
  • TRACTIAN Reviews & Ratings
    95 Ratings
    Company Website

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.

What is Ascalaph Designer?

Ascalaph Designer is a multifunctional platform designed for executing molecular dynamic simulations. It combines various molecular dynamics approaches with classical and quantum mechanics techniques into a single graphical interface. Users can employ conjugate gradient methods to refine molecular geometries efficiently. The program presents molecular structures across separate windows, each featuring dual cameras that allow for simultaneous viewing from different perspectives and graphic formats. By manipulating the splitter found in the corners of each window, users can easily open additional subwindows. A simple click on an atom or bond with the left mouse button changes their color slightly, while a concise description of the selected element is displayed in the status bar. The wire-frame visualization proves particularly useful for visualizing larger molecules, like proteins, due to its speed and efficacy. Moreover, the CPK wire frame style integrates attributes from various earlier styles, thereby enriching the user experience. This adaptability positions Ascalaph Designer as an invaluable tool for researchers engaged in molecular dynamics studies, making it indispensable for those seeking to enhance their molecular analysis capabilities.

Media

Media

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

Free
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

Aurora Fine Chemicals

Date Founded

1990

Company Location

United States

Company Website

aurorafinechemicals.com/drug-discovery-software.html

Company Facts

Organization Name

Agile Molecule

Company Location

Sweden

Company Website

www.biomolecular-modeling.com/Ascalaph/Ascalaph_Designer.html

Categories and Features

Categories and Features

Popular Alternatives

Popular Alternatives

BIOVIA Discovery Studio Reviews & Ratings

BIOVIA Discovery Studio

Dassault Systèmes
SILCS Reviews & Ratings

SILCS

SilcsBio
3decision Reviews & Ratings

3decision

Discngine