GalaxyDock: Protein–Ligand Docking with Flexible Protein Side-chains
✍ Scribed by Shin, Woong-Hee; Seok, Chaok
- Book ID
- 118055796
- Publisher
- American Chemical Society
- Year
- 2012
- Tongue
- English
- Weight
- 678 KB
- Volume
- 52
- Category
- Article
- ISSN
- 0095-2338
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📜 SIMILAR VOLUMES
Ligand binding may involve a wide range of structural changes in the receptor protein, from hinge movement of entire domains to small side-chain rearrangements in the binding pocket residues. The analysis of side chain flexibility gives insights valuable to improve docking algorithms and can provide
## Abstract Protein kinases have high structural plasticity: their structure can change significantly, depending on what ligands are bound to them. Rigid‐protein docking methods are not capable of describing such effects. Here, we present a new flexible‐ligand flexible‐protein docking model in whic