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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
Biohub serves as an accessible platform dedicated to advancing the understanding of protein biology. It offers users the ESM model family, which includes ESMC, ESMFold2, and ESM3, alongside interactive tools and resources tailored for developers involved in protein science research. ESMC stands out as a cutting-edge protein language model, meticulously trained on vast amounts of evolutionary sequence data, allowing it to create representations that elucidate key mechanisms underlying protein structure and function. This model facilitates various applications such as functional analysis, predicting structures, designing proteins, and investigating the evolutionary connections among different proteins. Meanwhile, ESMFold2 specializes in predicting high-resolution, all-atom 3D structures of biomolecular complexes from sequences, while offering the option of including multiple sequence alignments to improve accuracy for difficult targets. Additionally, ESM3 takes a holistic approach by simultaneously modeling sequence, structure, and function, thus enabling the generation of innovative proteins through conditioning on a blend of these aspects. This unique integration of tools and models empowers researchers to explore new frontiers in protein science.
API Access
Has API
API Access
Has API
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
Biohub
Founded
2016
Country
United States
Website
biohub.ai/