Flexible ligand–flexible protein docking in protein kinase systems

Quite a few reviews on molecular docking have already appeared. This mini-review focuses on methods that incorporate protein flexibility in docking rather than those that treat protein targets as rigid molecules. This is still a challenging problem but there are encouraging recent advances. These me...

Full description

Saved in:
Bibliographic Details
Published in:Biochimica et biophysica acta 2008, Vol.1784 (1), p.244-251
Main Author: Wong, Chung F.
Format: Article
Language:English
Subjects:
Binding Sites
Computer Simulation
Docking pathway
Ligands
Mining minima
Models, Molecular
Molecular dynamics
Molecular Structure
Protein Binding
Protein Conformation
Protein Kinases - chemistry
Protein Kinases - metabolism
Protein phosphatase
Simulated annealing
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Quite a few reviews on molecular docking have already appeared. This mini-review focuses on methods that incorporate protein flexibility in docking rather than those that treat protein targets as rigid molecules. This is still a challenging problem but there are encouraging recent advances. These methods will be reviewed particularly in light of their applications to protein kinases and phosphatases. In addition to obtaining correct docking pose, recent developments on exploring docking pathways are also highlighted.
ISSN:1570-9639
0006-3002
1878-1454
DOI:10.1016/j.bbapap.2007.10.005