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Items: 12

1.

Polypharmacological in Silico Bioactivity Profiling and Experimental Validation Uncovers Sedative-Hypnotic Effects of Approved and Experimental Drugs in Rat.

Drakakis G, Wafford KA, Brewerton SC, Bodkin MJ, Evans DA, Bender A.

ACS Chem Biol. 2017 Jun 16;12(6):1593-1602. doi: 10.1021/acschembio.7b00209. Epub 2017 May 1.

PMID:
28414209
2.

Deep sequencing of 10,000 human genomes.

Telenti A, Pierce LC, Biggs WH, di Iulio J, Wong EH, Fabani MM, Kirkness EF, Moustafa A, Shah N, Xie C, Brewerton SC, Bulsara N, Garner C, Metzker G, Sandoval E, Perkins BA, Och FJ, Turpaz Y, Venter JC.

Proc Natl Acad Sci U S A. 2016 Oct 18;113(42):11901-11906. Epub 2016 Oct 4.

3.

Comparing global and local likelihood score thresholds in multiclass laplacian-modified Naive Bayes protein target prediction.

Drakakis G, Koutsoukas A, Brewerton SC, Bodkin MJ, Evans DA, Bender A.

Comb Chem High Throughput Screen. 2015;18(3):323-30.

PMID:
25747441
4.

Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts.

Liggi S, Drakakis G, Koutsoukas A, Cortes-Ciriano I, Martínez-Alonso P, Malliavin TE, Velazquez-Campoy A, Brewerton SC, Bodkin MJ, Evans DA, Glen RC, Carrodeguas JA, Bender A.

Future Med Chem. 2014;6(18):2029-56. doi: 10.4155/fmc.14.137.

5.

Connecting gene expression data from connectivity map and in silico target predictions for small molecule mechanism-of-action analysis.

Ravindranath AC, Perualila-Tan N, Kasim A, Drakakis G, Liggi S, Brewerton SC, Mason D, Bodkin MJ, Evans DA, Bhagwat A, Talloen W, Göhlmann HW, Shkedy Z, Bender A; QSTAR Consortium.

Mol Biosyst. 2015 Jan;11(1):86-96. doi: 10.1039/c4mb00328d. Epub 2014 Sep 25.

PMID:
25254964
6.

Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts.

Liggi S, Drakakis G, Hendry AE, Hanson KM, Brewerton SC, Wheeler GN, Bodkin MJ, Evans DA, Bender A.

Mol Inform. 2013 Dec;32(11-12):1009-24. doi: 10.1002/minf.201300102. Epub 2013 Oct 18.

PMID:
27481146
7.

ChEMBLSpace--a graphical explorer of the chemogenomic space covered by the ChEMBL database.

Fechner N, Papadatos G, Evans D, Morphy JR, Brewerton SC, Thorner D, Bodkin M.

Bioinformatics. 2013 Feb 15;29(4):523-4. doi: 10.1093/bioinformatics/bts711. Epub 2012 Dec 20.

PMID:
23257198
8.

Using buriedness to improve discrimination between actives and inactives in docking.

O'Boyle NM, Brewerton SC, Taylor R.

J Chem Inf Model. 2008 Jun;48(6):1269-78. doi: 10.1021/ci8000452. Epub 2008 Jun 6.

PMID:
18533645
9.

The use of protein-ligand interaction fingerprints in docking.

Brewerton SC.

Curr Opin Drug Discov Devel. 2008 May;11(3):356-64. Review.

PMID:
18428089
10.

Diverse, high-quality test set for the validation of protein-ligand docking performance.

Hartshorn MJ, Verdonk ML, Chessari G, Brewerton SC, Mooij WT, Mortenson PN, Murray CW.

J Med Chem. 2007 Feb 22;50(4):726-41.

PMID:
17300160
11.

Structural analysis of DNA-PKcs: modelling of the repeat units and insights into the detailed molecular architecture.

Brewerton SC, Doré AS, Drake AC, Leuther KK, Blundell TL.

J Struct Biol. 2004 Mar;145(3):295-306.

PMID:
14960380
12.

Identification of DNA-PK in the arthropods. Evidence for the ancient ancestry of vertebrate non-homologous end-joining.

Doré AS, Drake AC, Brewerton SC, Blundell TL.

DNA Repair (Amst). 2004 Jan 5;3(1):33-41.

PMID:
14697757

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