Protein-ligand binding affinity prediction based on profiles of intermolecular contacts
As a key element in structure-based drug design, binding affinity prediction (BAP) for putative protein-ligand complexes can be efficiently achieved by the incorporation of structural descriptors and machine-learning models. However, developing concise descriptors that will lead to accurate and inte...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-01-01
|
| Series: | Computational and Structural Biotechnology Journal |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2001037022000411 |