Loading...
Hierarchical Docking of Databases of Multiple Ligand Conformations
Ligand flexibility is an important problem in molecular docking and virtual screening. To address this challenge, we investigate a hierarchical pre-organization of multiple conformations of small molecules. Such organization of pre-calculated conformations removes the exploration of ligand conformat...
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Artigo |
| Language: | Inglês |
| Published: |
2005
|
| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1364474/ https://ncbi.nlm.nih.gov/pubmed/16101414 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|