Name
Abstract | ||
|---|---|---|
Using a shape analysis technique, a dataset of 83 (20 wild-type and 63 mutated) HIV-1 protease crystal structures is analyzed for the shape changes in their binding pockets. The structures were reported with different bound inhibitors (ligands) and consist of a variety of mutations. Several geometrical and topological attributes based on the volumetric shape function and few other additional properties like electrostatic potential function were calculated. A cluster analysis was performed using these calculated attributes to investigate the effect of mutations or ligand on the shape change of the binding pocket of HIV protease. |
Year | DOI | Venue |
|---|---|---|
2008 | 10.1109/CIBCB.2008.4675772 | Sun Valley, ID |
Keywords | Field | DocType |
bioelectric phenomena,cellular biophysics,crystal structure,enzymes,genetics,microorganisms,molecular biophysics,3D shape analysis,HIV-1 protease ligand binding,cluster analysis,crystal structures,electrostatic potential function,mutations,volumetric shape function | Enzyme,Computer science,Ligand (biochemistry),Ligand,HIV-1 protease,Crystal structure,Protease,Molecular biophysics,Bioinformatics,Shape analysis (digital geometry) | Conference |
ISBN | Citations | PageRank |
978-1-4244-1779-7 | 1 | 0.37 |
References | Authors | |
14 | 4 | |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Sunil Kumar | 1 | 86 | 10.07 |
| Garg, R. | 2 | 11 | 1.78 |
| Alla, S.R. | 3 | 1 | 0.37 |
| Zhang, X. | 4 | 126 | 13.38 |