By using "tabu search" algorithm and Gehlhaar potential function, a new approach is presented for flexible docking of protein and its "drug-like" ligand has been developed. Computational test for this method with a set of 100 complexes has been performed, which indicated that the deviation of 89% of the predicted complex conformation was less than 0.25 nm. Compared with GOLD, a program of genetic algorithm, our method has high accuracy, low limit and short computation time.
Download full-text PDF |
Source |
|---|
Publication Analysis
Top Keywords
flexible docking
8
docking proteins
4
proteins "drug-like"
4
"drug-like" ligands
4
ligands "tabu
4
"tabu search"
4
search" algorithm
4
algorithm gehlhaar
4
gehlhaar potential
4
potential function
4
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!