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Description
AutoDock is a comprehensive suite comprising automated docking tools that aim to forecast the binding interactions of small molecules, like substrates or potential drugs, with a receptor that has a known three-dimensional structure. Over time, this toolset has undergone various modifications and enhancements to introduce new features, alongside the development of multiple computational engines. The software currently includes two main versions: AutoDock 4 and AutoDock Vina, each serving distinct purposes. Recently, the introduction of AutoDock-GPU has provided a significantly accelerated alternative to AutoDock4, achieving docking speeds that are remarkably hundreds of times faster than the original single-CPU version. AutoDock 4 is fundamentally made up of two core components: autodock, which executes the docking of the ligand onto a series of grids that represent the target protein, and autogrid, which is responsible for generating these grids ahead of time. These atomic affinity grids are not just useful for docking purposes; they can also be visualized to aid researchers, particularly organic synthetic chemists, in crafting more effective binding agents. This visualization capability can help streamline the process of drug design significantly.
Description
SYNTHIA™ Retrosynthesis software, developed by computer scientists and coded by chemists, allows scientists to quickly and easily navigate novel and innovative pathways for novel and previously published target molecules.
You can quickly and efficiently scan hundreds pathways to identify the best options for your needs.
Discover the most cost-effective route to your target molecule with the latest visualization and filtering features.
You can easily customize the search parameters to eliminate or highlight reactions, reagents, or classes of molecules.
Explore innovative and unique syntheses to build your desired molecule.
Easy to generate a list for starting materials that are commercially available for your synthesis.
ISO/IEC 27001 Information Security Certification will guarantee the confidentiality, integrity and protection of your data.
API Access
Has API
API Access
Has API
Integrations
YouMi
Pricing Details
No price information available.
Free Trial
Free Version
Pricing Details
€0 / 30 days
Free Trial
Free Version
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Vendor Details
Company Name
AutoDock
Website
autodock.scripps.edu/
Vendor Details
Company Name
Merck KGaA
Founded
1668
Country
Germany
Website
www.synthiaonline.com