Name
Title | ||
|---|---|---|
Ligand binding site superposition and comparison based on Atomic Property Fields: identification of distant homologues, convergent evolution and PDB-wide clustering of binding sites. |
Abstract | ||
|---|---|---|
A new binding site comparison algorithm using optimal superposition of the continuous pharmacophoric property distributions is reported. The method demonstrates high sensitivity in discovering both, distantly homologous and convergent binding sites. Good quality of superposition is also observed on multiple examples. Using the new approach, a measure of site similarity is derived and applied to clustering of ligand binding pockets in PDB. |
Year | DOI | Venue |
|---|---|---|
2011 | 10.1186/1471-2105-12-S1-S35 | BMC Bioinformatics |
Keywords | Field | DocType |
proteins,ligands,binding site,convergent evolution,cluster analysis,binding sites,microarrays,ligand binding,computational biology,algorithms,bioinformatics | Superposition principle,Binding site,Biology,Ligand (biochemistry),Ligand,Bioinformatics,Cluster analysis,Protein Data Bank,Convergent evolution,Protein Data Bank (RCSB PDB) | Journal |
Volume | Issue | ISSN |
12 Suppl 1 | Suppl 1 | 1471-2105 |
Citations | PageRank | References |
11 | 0.45 | 14 |
Authors | ||
1 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Maxim Totrov | 1 | 269 | 31.59 |