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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
LigPlot+ serves as the advanced iteration of the original LIGPLOT software, designed for the automatic creation of 2D diagrams depicting ligand-protein interactions. This tool features a user-friendly Java interface that enables users to edit plots effortlessly through simple mouse click-and-drag actions. Besides the improved interface, LigPlot+ introduces several significant upgrades compared to its predecessor. When analyzing two or more ligand-protein complexes that share notable similarities, the software can automatically present their interaction diagrams either overlayed or side by side, with conserved interactions prominently highlighted for easy identification. Additionally, the LigPlot+ suite integrates an enhanced version of the original DIMPLOT program, which is focused on visualizing protein-protein or domain-domain interactions. Users have the flexibility to choose the specific interface they are interested in, allowing DIMPLOT to produce a detailed diagram that illustrates the residue-residue interactions within that interface. For further clarity in interpretation, the residues from one interface can also be displayed in their sequential order, enhancing the overall usability and functionality of the program. This comprehensive approach makes LigPlot+ a valuable tool for researchers seeking to understand complex molecular interactions more intuitively.
API Access
Has API
No
API Access
Has API
No
Integrations
YouMi
No
Pricing Details
No price information available.
Free Trial
No
Free Version
No
Pricing Details
No price information available.
Free Trial
No
Free Version
No
Deployment
Web-Based
No
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
Yes
Mac
Yes
Linux
Yes
Chromebook
No
Deployment
Web-Based
No
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
Yes
Mac
Yes
Linux
Yes
Chromebook
No
Customer Support
Business Hours
No
Live Rep (24/7)
No
Online Support
Yes
Customer Support
Business Hours
Yes
Live Rep (24/7)
No
Online Support
Yes
Types of Training
Training Docs
Yes
Webinars
No
Live Training (Online)
No
In Person
No
Types of Training
Training Docs
Yes
Webinars
Yes
Live Training (Online)
No
In Person
Yes
Vendor Details
Company Name
AutoDock
Website
autodock.scripps.edu/
Vendor Details
Company Name
EMBL-EBI
Country
United Kingdom
Website
www.ebi.ac.uk/thornton-srv/software/LigPlus/