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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
ESMFold2 builds upon its predecessor, ESMFold, by establishing a new benchmark in single-sequence structure prediction and facilitating the creation of novel functional proteins via exploration of the latent space within the ESMC model. This advanced model is capable of forecasting high-resolution, all-atom 3D structures of biomolecular complexes straight from the amino acid sequence, and it allows for the incorporation of multiple sequence alignments to improve accuracy on difficult targets. Tailored for predicting structures through both sequence and structure modalities, it employs ESM representations that drive a series of looped folding layers while a diffusion model translates pairwise representations into atomic-resolution outcomes. ESMFold2 excels in predicting protein structures from amino acid sequences, providing detailed structural data, including precise all-atom coordinates for both backbone and side chains, along with confidence metrics and optional distogram predictions for in-depth structural evaluation. Furthermore, its innovative approach enhances the understanding of protein folding dynamics and functional implications, making it a valuable tool for researchers in the field.
API Access
Has API
No
API Access
Has API
Yes
Pricing Details
No price information available.
Free Trial
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Free Version
No
Pricing Details
Free
Free Trial
No
Free Version
Yes
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
Yes
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
No
Mac
No
Linux
No
Chromebook
No
Customer Support
Business Hours
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Live Rep (24/7)
No
Online Support
Yes
Customer Support
Business Hours
No
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
No
Live Training (Online)
No
In Person
No
Vendor Details
Company Name
AutoDock
Website
autodock.scripps.edu/
Vendor Details
Company Name
Biohub
Founded
2016
Country
United States
Website
biohub.ai/models/esmfold2