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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
We have established ourselves as frontrunners in the fields of ADMET property prediction, physiologically-based pharmacokinetics (PBPK) modeling, pharmacometrics, and quantitative systems pharmacology/toxicology, a status achieved through the achievements our clients have experienced while partnering with us. Leveraging over two decades of expertise, our skilled team excels at transforming complex scientific concepts into accessible software solutions, while also offering specialized consulting services that bolster drug discovery, clinical development research, and regulatory submission processes. Our dedication to client success drives our continuous improvement and innovation in these critical areas.
API Access
Has API
API Access
Has API
Integrations
YouMi
Pricing Details
No price information available.
Free Trial
Free Version
Pricing Details
No price information available.
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
Simulations Plus
Founded
1996
Country
United States
Website
www.simulations-plus.com