Synergistic application of molecular docking and machine learning for improved binding pose
Accurate prediction of protein-ligand complex structures is a crucial step in structure-based drug design. Traditional molecular docking methods exhibit limitations in terms of accuracy and sampling space, while relying on machine-learning approaches may lead to invalid conformations. In this study,...
Saved in:
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Science Press
2024-03-01
|
| Series: | National Science Open |
| Subjects: | |
| Online Access: | https://www.sciengine.com/doi/10.1360/nso/20230058 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|