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About
AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Over the years, it has been modified and improved to add new functionalities, and multiple engines have been developed. Current distributions of AutoDock consist of two generations of software: AutoDock 4 and AutoDock Vina. More recently, we developed AutoDock-GPU, an accelerated version of AutoDock4 that is hundreds of times faster than the original single-CPU docking code. AutoDock 4 actually consists of two main programs: autodock performs the docking of the ligand to a set of grids describing the target protein; autogrid pre-calculates these grids. In addition to using them for docking, the atomic affinity grids can be visualized. This can help, for example, to guide organic synthetic chemists design better binders.
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About
Biohub is an open platform for building on the world model of protein biology. It provides access to the ESM family of models, including ESMC, ESMFold2, and ESM3, along with interactive tools and developer resources for protein science research. ESMC is a state-of-the-art protein language model trained on billions of evolutionary sequences, building representations that capture fundamental mechanisms of protein structure and function. It powers functional analysis, structure prediction, protein design, and the exploration of evolutionary relationships between proteins. ESMFold2 predicts high-resolution, all-atom 3D structures of biomolecular complexes directly from sequence, with optional multiple sequence alignment input for enhanced accuracy on challenging targets. ESM3 jointly models sequence, structure, and function, enabling controllable generation of novel proteins by conditioning on any combination of these modalities.
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Audience
Automated docking tool that helps scientist predict how small molecules bind to a receptor of known 3D structure
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Audience
Computational biologists and protein engineering teams that need AI models, structure prediction tools, and protein-scale datasets for discovery and design
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Support
Phone Support
24/7 Live Support
Online
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Support
Phone Support
24/7 Live Support
Online
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API
Offers API
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API
Offers API
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Screenshots and Videos |
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Pricing
No information available.
Free Version
Free Trial
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Pricing
No information available.
Free Version
Free Trial
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Reviews/
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Reviews/
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Training
Documentation
Webinars
Live Online
In Person
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Training
Documentation
Webinars
Live Online
In Person
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Company InformationAutoDock
autodock.scripps.edu/
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Company InformationBiohub
Founded: 2016
United States
biohub.ai/
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