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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

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.

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

Computational biologists and protein engineering teams that need AI models, structure prediction tools, and protein-scale datasets for discovery and design

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

No information available.
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/

Alternatives

Dock Designer

Dock Designer

RoleModel Software

Alternatives

ESMC

ESMC

Biohub
HyperProtein

HyperProtein

Hypercube
Trac Ahead

Trac Ahead

Exotrac
ESMFold2

ESMFold2

Biohub
DockMaster

DockMaster

Valsoft
Evo 2

Evo 2

Arc Institute
C3 Reservations

C3 Reservations

C3 Solutions

Categories

Categories

Integrations

ESMC
ESMFold2
YouMi

Integrations

ESMC
ESMFold2
YouMi
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