107 related articles for article (PubMed ID: 22920885)
1. Structural insights into the molecular basis of the ligand promiscuity.
Sturm N; Desaphy J; Quinn RJ; Rognan D; Kellenberger E
J Chem Inf Model; 2012 Sep; 52(9):2410-21. PubMed ID: 22920885
[TBL] [Abstract][Full Text] [Related]
2. Recognition of privileged structures by G-protein coupled receptors.
Bondensgaard K; Ankersen M; Thøgersen H; Hansen BS; Wulff BS; Bywater RP
J Med Chem; 2004 Feb; 47(4):888-99. PubMed ID: 14761190
[TBL] [Abstract][Full Text] [Related]
3. Method for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions.
Minai R; Matsuo Y; Onuki H; Hirota H
Proteins; 2008 Jul; 72(1):367-81. PubMed ID: 18214952
[TBL] [Abstract][Full Text] [Related]
4. Comprehensive identification of "druggable" protein ligand binding sites.
An J; Totrov M; Abagyan R
Genome Inform; 2004; 15(2):31-41. PubMed ID: 15706489
[TBL] [Abstract][Full Text] [Related]
5. Protein promiscuity: drug resistance and native functions--HIV-1 case.
Fernández A; Tawfik DS; Berkhout B; Sanders R; Kloczkowski A; Sen T; Jernigan B
J Biomol Struct Dyn; 2005 Jun; 22(6):615-24. PubMed ID: 15842167
[TBL] [Abstract][Full Text] [Related]
6. sc-PDB: an annotated database of druggable binding sites from the Protein Data Bank.
Kellenberger E; Muller P; Schalon C; Bret G; Foata N; Rognan D
J Chem Inf Model; 2006; 46(2):717-27. PubMed ID: 16563002
[TBL] [Abstract][Full Text] [Related]
7. Similarity metrics for ligands reflecting the similarity of the target proteins.
Schuffenhauer A; Floersheim P; Acklin P; Jacoby E
J Chem Inf Comput Sci; 2003; 43(2):391-405. PubMed ID: 12653501
[TBL] [Abstract][Full Text] [Related]
8. Architectural repertoire of ligand-binding pockets on protein surfaces.
Weisel M; Kriegl JM; Schneider G
Chembiochem; 2010 Mar; 11(4):556-63. PubMed ID: 20069621
[TBL] [Abstract][Full Text] [Related]
9. A simple and fuzzy method to align and compare druggable ligand-binding sites.
Schalon C; Surgand JS; Kellenberger E; Rognan D
Proteins; 2008 Jun; 71(4):1755-78. PubMed ID: 18175308
[TBL] [Abstract][Full Text] [Related]
10. PDB-Ligand: a ligand database based on PDB for the automated and customized classification of ligand-binding structures.
Shin JM; Cho DH
Nucleic Acids Res; 2005 Jan; 33(Database issue):D238-41. PubMed ID: 15608186
[TBL] [Abstract][Full Text] [Related]
11. Predicting the multi-modal binding propensity of small molecules: towards an understanding of drug promiscuity.
Park K; Lee S; Ahn HS; Kim D
Mol Biosyst; 2009 Aug; 5(8):844-53. PubMed ID: 19603120
[TBL] [Abstract][Full Text] [Related]
12. Alignment-free ultra-high-throughput comparison of druggable protein-ligand binding sites.
Weill N; Rognan D
J Chem Inf Model; 2010 Jan; 50(1):123-35. PubMed ID: 20058856
[TBL] [Abstract][Full Text] [Related]
13. FLEXS: a method for fast flexible ligand superposition.
Lemmen C; Lengauer T; Klebe G
J Med Chem; 1998 Nov; 41(23):4502-20. PubMed ID: 9804690
[TBL] [Abstract][Full Text] [Related]
14. Ligand prediction for orphan targets using support vector machines and various target-ligand kernels is dominated by nearest neighbor effects.
Wassermann AM; Geppert H; Bajorath J
J Chem Inf Model; 2009 Oct; 49(10):2155-67. PubMed ID: 19780576
[TBL] [Abstract][Full Text] [Related]
15. A comprehensive docking study on the selectivity of binding of aromatic compounds to proteins.
Hetényi C; Maran U; Karelson M
J Chem Inf Comput Sci; 2003; 43(5):1576-83. PubMed ID: 14502492
[TBL] [Abstract][Full Text] [Related]
16. The automatic search for ligand binding sites in proteins of known three-dimensional structure using only geometric criteria.
Peters KP; Fauck J; Frömmel C
J Mol Biol; 1996 Feb; 256(1):201-13. PubMed ID: 8609611
[TBL] [Abstract][Full Text] [Related]
17. BSAlign: a rapid graph-based algorithm for detecting ligand-binding sites in protein structures.
Aung Z; Tong JC
Genome Inform; 2008; 21():65-76. PubMed ID: 19425148
[TBL] [Abstract][Full Text] [Related]
18. Fold independent structural comparisons of protein-ligand binding sites for exploring functional relationships.
Gold ND; Jackson RM
J Mol Biol; 2006 Feb; 355(5):1112-24. PubMed ID: 16359705
[TBL] [Abstract][Full Text] [Related]
19. Generalized modeling of enzyme-ligand interactions using proteochemometrics and local protein substructures.
Strömbergsson H; Kryshtafovych A; Prusis P; Fidelis K; Wikberg JE; Komorowski J; Hvidsten TR
Proteins; 2006 Nov; 65(3):568-79. PubMed ID: 16948162
[TBL] [Abstract][Full Text] [Related]
20. Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy.
Gauto DF; Di Lella S; Guardia CM; Estrin DA; Martí MA
J Phys Chem B; 2009 Jun; 113(25):8717-24. PubMed ID: 19485380
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
