ESMFold2

ESMFold2

Biohub
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+

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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.

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.

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Audience

Automated docking tool that helps scientist predict how small molecules bind to a receptor of known 3D structure

Audience

Structural biology researchers who need fast, high-resolution protein structure prediction from sequence for analysis, exploration, and experimental planning

Support

Phone Support
24/7 Live Support
Online

Support

Phone Support
24/7 Live Support
Online

API

Offers API

API

Offers API

Screenshots and Videos

Screenshots and Videos

Pricing

No information available.
Free Version
Free Trial

Pricing

Free
Free Version
Free Trial

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

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Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Training

Documentation
Webinars
Live Online
In Person

Training

Documentation
Webinars
Live Online
In Person

Company Information

AutoDock
autodock.scripps.edu/

Company Information

Biohub
Founded: 2016
United States
biohub.ai/models/esmfold2

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Categories

Categories

Integrations

Biohub
Python
YouMi

Integrations

Biohub
Python
YouMi
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