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What is AutoDock?

AutoDock is a suite of automated docking tools designed to predict how small molecules, such as potential drugs or substrates, bind with receptors that possess a known three-dimensional structure. Over the years, this toolkit has seen numerous upgrades and improvements that have led to the creation of multiple docking engines. Presently, AutoDock features two main versions: AutoDock 4 and AutoDock Vina. A recent innovation, AutoDock-GPU, has been launched, significantly speeding up the docking processes of AutoDock 4 to rates that are several hundred times faster than the original single-CPU version. At its core, AutoDock 4 consists of two fundamental applications: autodock, which manages the docking of ligands to a grid representation of the target protein, and autogrid, which pre-calculates these grids. In addition to their primary role in docking, the atomic affinity grids produced can be visualized, offering essential insights that may aid organic synthetic chemists in designing more effective binders for their research endeavors. This visual capability not only enhances the understanding of binding interactions but also fosters a more seamless integration between computational models and tangible results in the realm of drug development.

What is AIDDISON?

AIDDISONâ„¢ is an innovative drug discovery software that harnesses the capabilities of artificial intelligence (AI), computer-aided drug design (CADD), and machine learning (ML) to offer an essential toolkit for medicinal chemistry. This comprehensive platform seamlessly integrates various facets of virtual screening, encompassing both ligand-based and structure-based design approaches. Additionally, it facilitates advanced techniques for in silico lead optimization and discovery, ensuring that researchers have access to cutting-edge resources for their projects. By streamlining the drug discovery process, AIDDISONâ„¢ significantly enhances the efficiency and effectiveness of medicinal chemistry endeavors.

Media

Media

No images available

Integrations Supported

YouMi

Integrations Supported

YouMi

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

AutoDock

Company Website

autodock.scripps.edu/

Company Facts

Organization Name

Merck KGaA

Date Founded

1668

Company Location

Germany

Company Website

www.sigmaaldrich.com/US/en/services/software-and-digital-platforms/aiddison-ai-powered-drug-discovery

Categories and Features

Categories and Features

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