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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
Spacemacs is a community-centric distribution of Emacs that revolutionizes the editing experience by integrating both Emacs and Vim's strengths. This innovative editor emphasizes ergonomic design, mnemonic organization, and consistency throughout its interface. Key bindings are thoughtfully categorized with mnemonic prefixes such as b for buffer, p for project, s for search, and h for help, making navigation intuitive. Users benefit from a unique real-time display that highlights available key bindings, enhancing usability. The platform also features a streamlined query system to effortlessly locate layers, packages, and more. With a standardized set of conventions, similar functionalities utilize the same key bindings across the board, promoting familiarity. Additionally, the community-driven configuration ensures that users have access to a curated selection of packages optimized by experienced users, while bugs are addressed promptly, fostering a reliable and efficient working environment. This makes Spacemacs not just an editor, but a vibrant community of users supporting one another in their coding journeys.
API Access
Has API
No
API Access
Has API
No
Integrations
C++
No
CSS
No
Clojure
No
Erlang
No
F#
No
GitHub
No
Go
No
HTML
No
Haskell
No
Java
No
Integrations
C++
Yes
CSS
Yes
Clojure
Yes
Erlang
Yes
F#
Yes
GitHub
Yes
Go
Yes
HTML
Yes
Haskell
Yes
Java
Yes
Pricing Details
No price information available.
Free Trial
No
Free Version
No
Pricing Details
No price information available.
Free Trial
No
Free Version
No
Deployment
Web-Based
Yes
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
No
Mac
No
Linux
No
Chromebook
No
Deployment
Web-Based
No
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
Yes
Mac
Yes
Linux
Yes
Chromebook
No
Customer Support
Business Hours
Yes
Live Rep (24/7)
No
Online Support
Yes
Customer Support
Business Hours
No
Live Rep (24/7)
Yes
Online Support
Yes
Types of Training
Training Docs
No
Webinars
No
Live Training (Online)
No
In Person
No
Types of Training
Training Docs
Yes
Webinars
No
Live Training (Online)
No
In Person
No
Vendor Details
Company Name
Aurora Fine Chemicals
Founded
1990
Country
United States
Website
aurorafinechemicals.com/drug-discovery-software.html
Vendor Details
Company Name
Spacemacs
Founded
2014
Website
www.spacemacs.org
Product Features
Product Features
Code Editors
API
No
Auto-Complete
No
Code Folding
No
Column Editing
No
Customizable Themes
No
Debugging
No
Formatting / Table Editing
No
Keyboard Shortcuts
No
Multi-Monitor Editing
No
Syntax Highlighting
No
WYSIWYG
No
Text Editors
API
No
Auto-Complete
No
Code Folding
No
Column Editing
No
Customizable Themes
No
Debugging
No
Formatting / Table Editing
No
Keyboard Shortcuts
No
Multi-Monitor Editing
No
Syntax Highlighting
No
WYSIWYG
No
