Exploiting receptor flexibility to improve the accuracy of structure-based virtual screening
Structure-based virtual screening is usually challenged by numerous false positives in the candidate drugs predicted by molecular docking tools. Here, on the basis of the binding energy landscape theory, a hypothesis that a true binder can bind to different conformations of the binding site favorabl...
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Thesis |
| Language: | English |
| Published: |
2017
|
| Subjects: | |
| Online Access: | http://hdl.handle.net/10356/69603 |