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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

ESMC represents the newest advancement in the ESM series of protein language models, pushing the boundaries of representation learning within the field of protein biology. With training on billions of evolutionary sequences, it adeptly captures representations that encapsulate a mechanistic understanding of protein structure and function. The model utilizes a transformer architecture, focusing on sequences as its primary modality, and is trained on a vast dataset comprising up to 6 billion proteins. ESMC is tailored for various protein science applications, such as predicting structures, annotating functions, designing proteins, and exploring evolutionary connections among proteins. Additionally, it possesses the capability to create novel proteins based on partial sequences, structures, or functional constraints, thereby enabling researchers to investigate innovative avenues in protein design and biological discovery. Accessible through the Biohub Platform, ESMC can be utilized via an API and the ESM Python package, which includes quickstart resources for installation, API key generation, and platform connectivity, ensuring a seamless experience for users. This comprehensive accessibility encourages a broader engagement with protein research and enhances collaborative efforts in the scientific community.

API Access

Has API

API Access

Has API

Screenshots View All

Screenshots View All

Integrations

Biohub
Python
YouMi

Integrations

Biohub
Python
YouMi

Pricing Details

No price information available.
Free Trial
Free Version

Pricing Details

Free
Free Trial
Free Version

Deployment

Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook

Deployment

Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook

Customer Support

Business Hours
Live Rep (24/7)
Online Support

Customer Support

Business Hours
Live Rep (24/7)
Online Support

Types of Training

Training Docs
Webinars
Live Training (Online)
In Person

Types of Training

Training Docs
Webinars
Live Training (Online)
In Person

Vendor Details

Company Name

AutoDock

Website

autodock.scripps.edu/

Vendor Details

Company Name

Biohub

Founded

2016

Country

United States

Website

biohub.ai/models/esmc

Product Features

Product Features

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