Prediction of protein pKawith representation learning
Abstract
We developed new empirical ML model for protein pKaprediction with MAEs below 0.5 for all amino acid types.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2022
- Source ID
- 10.1039/d1sc05610g
Entities
People
- Hatice Gökcan
- Olexandr Isayev
Organizations
- Carnegie Mellon University
- National Science Foundation
- Office of Naval Research