AtlasCBS: A web server to map and explore chemico-biological space

Journal of Computer-Aided Molecular Design

Volumn 26, Issue 9, 2012, Pages 995-1003

  Cortes Cabrera, Alvaro ^a,b,c   Morreale, Antonio ^c   Gago, Federico ^a,b   Abad Zapatero, Celerino ^a,b  

^a UNIVERSITY OF ALCALÁ   (Spain)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

^c CENTRO DE BIOLOGÍA MOLECULAR SEVERO OCHOA   (Spain)

Author keywords

AtlasCBS server; Chemicobiological space; Efficiency planes; Efficiency based drug design; Ligand efficiency indices; Structure activity databases

Indexed keywords

DATABASE SYSTEMS; HTTP; LIGANDS; WEB SERVICES;

ATLASCBS SERVER; CHEMICOBIOLOGICAL SPACE; DRUG DESIGN; EFFICIENCY INDEX; EFFICIENCY PLANE; EFFICIENCY-BASED DRUG DESIGN; LIGAND EFFICIENCY INDEX; STRUCTURE ACTIVITY; STRUCTURE-ACTIVITY DATABASE; WEB SERVERS;

EFFICIENCY;

CHEMICAL COMPOUND; LIGAND;

ARTICLE; BINDING AFFINITY; BINDINGDB DATABASE; BIOLOGICAL ACTIVITY; BIOLOGICAL FUNCTIONS; BIOLOGICAL SPACE; CHEMBL DATABASE; CHEMICAL PARAMETERS; CHEMICAL PHENOMENA; CHEMICAL SPACE; CHEMICAL STRUCTURE; COMPUTER PROGRAM; DATA BASE; DRUG DESIGN; DRUG DEVELOPMENT; DRUG TARGETING; LIGAND EFFICIENCY INDICES; PDBBIND DATABASE; PRIORITY JOURNAL; WEB SERVER;

EID: 84869506185     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-012-9587-5     Document Type: Article

References (17)

1. Liu T, Lin Y, Wen X, Jorissen RN, Gilson M (2007) Nucleic Acids Res 35(Database issue):D198
2. Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP (2011) Nucleic Acids Res 40(Database issue):D1100
3. Wang R, Fang X, Lu Y, Yang CY, Wang S (2005) J Med Chem 48(12):4111
4. Lipinski C, Hopkins A (2004) Nature 432(7019):855
5. Oprea TI, Gottfries J (2001) J Comb Chem 3(2):157
6. Watson P, Verdonk M, Hartshorn MJ (2003) J Mol Graph Model 22(1):71
7. Hopkins AL, Groom CR, Alex A (2004) Drug Discov Today 9:430
8. Abad-Zapatero C, Metz JM (2005) Drug Discov Today 10(7):464
9. Hann MM, Keseru GM (2012) Nat Rev Drug Discov 11(5):355
10. Abad-Zapatero C, Perisic O, Wass J, Bento AP, Overington J, Al- Lazikani B, Johnson ME (2010) Drug Discov Today 15(19-20):804
11. Steinbeck C, Han Y, Kuhn S, Horlacher O, Luttmann E, Willighagen E (2003) J Chem Inf Comput Sci 43(2):493
12. Steinbeck C, Hoppe C, Kuhn S, Floris M, Guha R, Willighagen EL (2006) Curr Pharm Des 12(17):2111
13. Abad-Zapatero C, Blasi D (2011) Mol Inform 30(2-3):122
14. Christmann-Franck S, Cravo D, Abad-Zapatero C (2011) Mol Inform 30(2-3):137
15. Abad-Zapatero C (2007) Expert Opin Drug Discov 2(4):469
16. Blasi D, Arsequel G, Valencia G, Nieto J, Planas A, Pinto M, Centeno NB, Abad-Zapatero C, Quintana J (2011) Mol Inf 30(2-3):161
17. Lipinski CA, Lombardo F, Dominy BW, Feeney PJ (1997) Adv Drug Deliv Rev 23:3