Leveraging active site information for deep learning prediction of enzyme–substrate Michaelis constants
Abstract
The Michaelis constant ( K M ) is a key parameter in enzymology. Active site for K M (AS4Km) is a deep learning model that leverages explicit active site information to predict K M values for enzyme–substrate complexes.
Fields of Study & Subjects
Protein Structure and Dynamics
Computational Drug Discovery Methods
Machine Learning in Materials Science
Publication details
- Journal / source
- Digital Discovery
- Volume
- 5
- Issue
- 7
- Pages
- 2915–2928
- Publication date
- 1 January 2026
- Language
- EN