475 related articles for article (PubMed ID: 18023220)
1. Pocket extraction on proteins via the Voronoi diagram of spheres.
Kim D; Cho CH; Cho Y; Ryu J; Bhak J; Kim DS
J Mol Graph Model; 2008 Apr; 26(7):1104-12. PubMed ID: 18023220
[TBL] [Abstract][Full Text] [Related]
2. Lead optimization via high-throughput molecular docking.
Joseph-McCarthy D; Baber JC; Feyfant E; Thompson DC; Humblet C
Curr Opin Drug Discov Devel; 2007 May; 10(3):264-74. PubMed ID: 17554852
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. Molecular modeling of hydration in drug design.
Mancera RL
Curr Opin Drug Discov Devel; 2007 May; 10(3):275-80. PubMed ID: 17554853
[TBL] [Abstract][Full Text] [Related]
5. Importance of molecular computer modeling in anticancer drug development.
Geromichalos GD
J BUON; 2007 Sep; 12 Suppl 1():S101-18. PubMed ID: 17935268
[TBL] [Abstract][Full Text] [Related]
6. Physics-based methods for studying protein-ligand interactions.
Huang N; Jacobson MP
Curr Opin Drug Discov Devel; 2007 May; 10(3):325-31. PubMed ID: 17554859
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. Detection of pockets on protein surfaces using small and large probe spheres to find putative ligand binding sites.
Kawabata T; Go N
Proteins; 2007 Aug; 68(2):516-29. PubMed ID: 17444522
[TBL] [Abstract][Full Text] [Related]
9. Molecular optimization using computational multi-objective methods.
Nicolaou CA; Brown N; Pattichis CS
Curr Opin Drug Discov Devel; 2007 May; 10(3):316-24. PubMed ID: 17554858
[TBL] [Abstract][Full Text] [Related]
10. Ranking poses in structure-based lead discovery and optimization: current trends in scoring function development.
Rajamani R; Good AC
Curr Opin Drug Discov Devel; 2007 May; 10(3):308-15. PubMed ID: 17554857
[TBL] [Abstract][Full Text] [Related]
11. Form follows function: shape analysis of protein cavities for receptor-based drug design.
Weisel M; Proschak E; Kriegl JM; Schneider G
Proteomics; 2009 Jan; 9(2):451-9. PubMed ID: 19142949
[TBL] [Abstract][Full Text] [Related]
12. BetaDock: shape-priority docking method based on beta-complex.
Kim DS; Kim CM; Won CI; Kim JK; Ryu J; Cho Y; Lee C; Bhak J
J Biomol Struct Dyn; 2011 Aug; 29(1):219-42. PubMed ID: 21696235
[TBL] [Abstract][Full Text] [Related]
13. Informatics and modeling challenges in fragment-based drug discovery.
Hubbard RE; Chen I; Davis B
Curr Opin Drug Discov Devel; 2007 May; 10(3):289-97. PubMed ID: 17554855
[TBL] [Abstract][Full Text] [Related]
14. The use of protein-ligand interaction fingerprints in docking.
Brewerton SC
Curr Opin Drug Discov Devel; 2008 May; 11(3):356-64. PubMed ID: 18428089
[TBL] [Abstract][Full Text] [Related]
15. Structure-based druggability assessment--identifying suitable targets for small molecule therapeutics.
Fauman EB; Rai BK; Huang ES
Curr Opin Chem Biol; 2011 Aug; 15(4):463-8. PubMed ID: 21704549
[TBL] [Abstract][Full Text] [Related]
16. Drug-like density: a method of quantifying the "bindability" of a protein target based on a very large set of pockets and drug-like ligands from the Protein Data Bank.
Sheridan RP; Maiorov VN; Holloway MK; Cornell WD; Gao YD
J Chem Inf Model; 2010 Nov; 50(11):2029-40. PubMed ID: 20977231
[TBL] [Abstract][Full Text] [Related]
17. A large-scale computational approach to drug repositioning.
Li YY; An J; Jones SJ
Genome Inform; 2006; 17(2):239-47. PubMed ID: 17503396
[TBL] [Abstract][Full Text] [Related]
18. The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme.
Lin JH; Perryman AL; Schames JR; McCammon JA
Biopolymers; 2003 Jan; 68(1):47-62. PubMed ID: 12579579
[TBL] [Abstract][Full Text] [Related]
19. Development and validation of AMANDA, a new algorithm for selecting highly relevant regions in Molecular Interaction Fields.
Durán A; Martínez GC; Pastor M
J Chem Inf Model; 2008 Sep; 48(9):1813-23. PubMed ID: 18693718
[TBL] [Abstract][Full Text] [Related]
20. Designing better drugs: predicting cytochrome P450 metabolism.
de Groot MJ
Drug Discov Today; 2006 Jul; 11(13-14):601-6. PubMed ID: 16793528
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
