ESMFold2Biohub
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Related Products
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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
ESMFold2 is the successor to ESMFold, setting a new state of the art for single-sequence structure prediction and enabling the generation of new functional proteins through searching the ESMC model’s latent space. The model 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. It is designed for structure prediction using sequence and structure modalities, with ESM representations powering a series of looped folding layers and a diffusion model projecting pairwise representations to atomic-resolution predictions. ESMFold2 predicts protein structures directly from amino acid sequences and outputs comprehensive structural information, including all-atom coordinates for backbone and side chains, confidence metrics, and optional distogram predictions for detailed structural analysis.
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Platforms Supported
Windows
Supported
Mac
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Linux
Supported
Cloud
Not Supported
On-Premises
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iPhone
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iPad
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Android
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Chromebook
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Platforms Supported
Windows
Not Supported
Mac
Not Supported
Linux
Not Supported
Cloud
Supported
On-Premises
Not Supported
iPhone
Not Supported
iPad
Not Supported
Android
Not Supported
Chromebook
Not Supported
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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
Structural biology researchers who need fast, high-resolution protein structure prediction from sequence for analysis, exploration, and experimental planning
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Support
Phone Support
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24/7 Live Support
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Online
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Support
Phone Support
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24/7 Live Support
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Online
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API
Offers API
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API
Offers API
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Pricing
No information available.
Free Version
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Free Trial
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Pricing
Free
Free Version
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Free Trial
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Reviews/
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Training
Documentation
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Webinars
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Live Online
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In Person
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Training
Documentation
Supported
Webinars
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Live Online
Not Supported
In Person
Not Supported
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Company InformationAutoDock
autodock.scripps.edu/
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Company InformationBiohub
Founded: 2016
United States
biohub.ai/models/esmfold2
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