355 related articles for article (PubMed ID: 19176554)
1. Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques.
Brenke R; Kozakov D; Chuang GY; Beglov D; Hall D; Landon MR; Mattos C; Vajda S
Bioinformatics; 2009 Mar; 25(5):621-7. PubMed ID: 19176554
[TBL] [Abstract][Full Text] [Related]
2. FTMAP: extended protein mapping with user-selected probe molecules.
Ngan CH; Bohnuud T; Mottarella SE; Beglov D; Villar EA; Hall DR; Kozakov D; Vajda S
Nucleic Acids Res; 2012 Jul; 40(Web Server issue):W271-5. PubMed ID: 22589414
[TBL] [Abstract][Full Text] [Related]
3. Robust identification of binding hot spots using continuum electrostatics: application to hen egg-white lysozyme.
Hall DH; Grove LE; Yueh C; Ngan CH; Kozakov D; Vajda S
J Am Chem Soc; 2011 Dec; 133(51):20668-71. PubMed ID: 22092261
[TBL] [Abstract][Full Text] [Related]
4. Analysis of protein binding sites by computational solvent mapping.
Hall DR; Kozakov D; Vajda S
Methods Mol Biol; 2012; 819():13-27. PubMed ID: 22183527
[TBL] [Abstract][Full Text] [Related]
5. The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins.
Kozakov D; Grove LE; Hall DR; Bohnuud T; Mottarella SE; Luo L; Xia B; Beglov D; Vajda S
Nat Protoc; 2015 May; 10(5):733-55. PubMed ID: 25855957
[TBL] [Abstract][Full Text] [Related]
6. Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding Sites.
Khan O; Jones G; Lazou M; Joseph-McCarthy D; Kozakov D; Beglov D; Vajda S
J Chem Inf Model; 2024 Mar; 64(6):2084-2100. PubMed ID: 38456842
[TBL] [Abstract][Full Text] [Related]
7. Hot spot analysis for driving the development of hits into leads in fragment-based drug discovery.
Hall DR; Ngan CH; Zerbe BS; Kozakov D; Vajda S
J Chem Inf Model; 2012 Jan; 52(1):199-209. PubMed ID: 22145575
[TBL] [Abstract][Full Text] [Related]
8. FTFlex: accounting for binding site flexibility to improve fragment-based identification of druggable hot spots.
Grove LE; Hall DR; Beglov D; Vajda S; Kozakov D
Bioinformatics; 2013 May; 29(9):1218-9. PubMed ID: 23476022
[TBL] [Abstract][Full Text] [Related]
9. Identification of hot spots within druggable binding regions by computational solvent mapping of proteins.
Landon MR; Lancia DR; Yu J; Thiel SC; Vajda S
J Med Chem; 2007 Mar; 50(6):1231-40. PubMed ID: 17305325
[TBL] [Abstract][Full Text] [Related]
10. Druggable hot spots in trypanothione reductase: novel insights and opportunities for drug discovery revealed by DRUGpy.
Teixeira O; Lacerda P; Froes TQ; Nonato MC; Castilho MS
J Comput Aided Mol Des; 2021 Aug; 35(8):871-882. PubMed ID: 34181199
[TBL] [Abstract][Full Text] [Related]
11. FTMove: A Web Server for Detection and Analysis of Cryptic and Allosteric Binding Sites by Mapping Multiple Protein Structures.
Egbert M; Jones G; Collins MR; Kozakov D; Vajda S
J Mol Biol; 2022 Jun; 434(11):167587. PubMed ID: 35662465
[TBL] [Abstract][Full Text] [Related]
12. Accelerating and focusing protein-protein docking correlations using multi-dimensional rotational FFT generating functions.
Ritchie DW; Kozakov D; Vajda S
Bioinformatics; 2008 Sep; 24(17):1865-73. PubMed ID: 18591193
[TBL] [Abstract][Full Text] [Related]
13. Structural conservation of druggable hot spots in protein-protein interfaces.
Kozakov D; Hall DR; Chuang GY; Cencic R; Brenke R; Grove LE; Beglov D; Pelletier J; Whitty A; Vajda S
Proc Natl Acad Sci U S A; 2011 Aug; 108(33):13528-33. PubMed ID: 21808046
[TBL] [Abstract][Full Text] [Related]
14. Focused grid-based resampling for protein docking and mapping.
Mamonov AB; Moghadasi M; Mirzaei H; Zarbafian S; Grove LE; Bohnuud T; Vakili P; Ch Paschalidis I; Vajda S; Kozakov D
J Comput Chem; 2016 Apr; 37(11):961-70. PubMed ID: 26837000
[TBL] [Abstract][Full Text] [Related]
15. Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase.
Landon MR; Lieberman RL; Hoang QQ; Ju S; Caaveiro JM; Orwig SD; Kozakov D; Brenke R; Chuang GY; Beglov D; Vajda S; Petsko GA; Ringe D
J Comput Aided Mol Des; 2009 Aug; 23(8):491-500. PubMed ID: 19521672
[TBL] [Abstract][Full Text] [Related]
16. Relationship between hot spot residues and ligand binding hot spots in protein-protein interfaces.
Zerbe BS; Hall DR; Vajda S; Whitty A; Kozakov D
J Chem Inf Model; 2012 Aug; 52(8):2236-44. PubMed ID: 22770357
[TBL] [Abstract][Full Text] [Related]
17. A molecular dynamics ensemble-based approach for the mapping of druggable binding sites.
Ivetac A; McCammon JA
Methods Mol Biol; 2012; 819():3-12. PubMed ID: 22183526
[TBL] [Abstract][Full Text] [Related]
18. Mapping the druggable allosteric space of G-protein coupled receptors: a fragment-based molecular dynamics approach.
Ivetac A; McCammon JA
Chem Biol Drug Des; 2010 Sep; 76(3):201-17. PubMed ID: 20626410
[TBL] [Abstract][Full Text] [Related]
19. Conservation of Allosteric Ligand Binding Sites in G-Protein Coupled Receptors.
Wakefield AE; Bajusz D; Kozakov D; Keserű GM; Vajda S
J Chem Inf Model; 2022 Oct; 62(20):4937-4954. PubMed ID: 36195573
[TBL] [Abstract][Full Text] [Related]
20. Identification of substrate binding sites in enzymes by computational solvent mapping.
Silberstein M; Dennis S; Brown L; Kortvelyesi T; Clodfelter K; Vajda S
J Mol Biol; 2003 Oct; 332(5):1095-113. PubMed ID: 14499612
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
