Average Ratings 0 Ratings

Total
ease
features
design
support

No User Reviews. Be the first to provide a review:

Write a Review

Average Ratings 0 Ratings

Total
ease
features
design
support

No User Reviews. Be the first to provide a review:

Write a Review

Description

Aurora utilizes principles of quantum mechanics and thermodynamics alongside a sophisticated continuous water model to assess the solvation effects on ligand binding affinities. This methodology is significantly different from the traditional scoring functions typically employed for predicting binding affinities. By integrating entropy and aqueous electrostatic contributions directly into the computations, Aurora's algorithms yield far more precise and reliable binding free energy values. The interaction between a ligand and a protein is fundamentally defined by the binding free energy value. This free energy (F) serves as a thermodynamic measure that correlates directly with the experimentally determined inhibition constant (IC50), influenced by factors such as electrostatic interactions, quantum effects, aqueous solvation forces, and the statistical characteristics of the molecules involved. Non-additivity in F arises primarily from two key components: the electrostatic and solvation energy, and the entropy, which together contribute to the complexity of ligand-protein interactions. Understanding these contributions is essential for the accurate prediction of binding affinities in drug design and molecular biology.

Description

Biohub serves as an accessible platform dedicated to advancing the understanding of protein biology. It offers users the ESM model family, which includes ESMC, ESMFold2, and ESM3, alongside interactive tools and resources tailored for developers involved in protein science research. ESMC stands out as a cutting-edge protein language model, meticulously trained on vast amounts of evolutionary sequence data, allowing it to create representations that elucidate key mechanisms underlying protein structure and function. This model facilitates various applications such as functional analysis, predicting structures, designing proteins, and investigating the evolutionary connections among different proteins. Meanwhile, ESMFold2 specializes in predicting high-resolution, all-atom 3D structures of biomolecular complexes from sequences, while offering the option of including multiple sequence alignments to improve accuracy for difficult targets. Additionally, ESM3 takes a holistic approach by simultaneously modeling sequence, structure, and function, thus enabling the generation of innovative proteins through conditioning on a blend of these aspects. This unique integration of tools and models empowers researchers to explore new frontiers in protein science.

API Access

Has API

API Access

Has API

Screenshots View All

Screenshots View All

Integrations

ESMC
ESMFold2

Integrations

ESMC
ESMFold2

Pricing Details

No price information available.
Free Trial
Free Version

Pricing Details

No price information available.
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

Aurora Fine Chemicals

Founded

1990

Country

United States

Website

aurorafinechemicals.com/drug-discovery-software.html

Vendor Details

Company Name

Biohub

Founded

2016

Country

United States

Website

biohub.ai/

Product Features

Product Features

Alternatives

Alternatives

ESMFold2 Reviews

ESMFold2

Biohub
SILCS Reviews

SILCS

SilcsBio
ESMC Reviews

ESMC

Biohub
3decision Reviews

3decision

Discngine
HyperProtein Reviews

HyperProtein

Hypercube