CSAlign and CSAlign-Dock: Structure alignment of ligands considering full flexibility and application to protein–ligand docking
Structure prediction of protein–ligand complexes, called protein–ligand docking, is a critical computational technique that can be used to understand the underlying principle behind the protein functions at the atomic level and to design new molecules regulating the functions. Protein-ligand docking...
| Autors principals: | , |
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| Format: | Article |
| Idioma: | English |
| Publicat: |
Elsevier
2023-01-01
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| Col·lecció: | Computational and Structural Biotechnology Journal |
| Matèries: | |
| Accés en línia: | http://www.sciencedirect.com/science/article/pii/S2001037022005414 |