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Results: 20

1.

Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.

Bagnéris C, DeCaen PG, Naylor CE, Pryde DC, Nobeli I, Clapham DE, Wallace BA.

Proc Natl Acad Sci U S A. 2014 Jun 10;111(23):8428-33. doi: 10.1073/pnas.1406855111. Epub 2014 May 21.

2.

A text-mining system for extracting metabolic reactions from full-text articles.

Czarnecki J, Nobeli I, Smith AM, Shepherd AJ.

BMC Bioinformatics. 2012 Jul 23;13:172. doi: 10.1186/1471-2105-13-172.

3.

In silico assessment of potential druggable pockets on the surface of α1-antitrypsin conformers.

Patschull AO, Gooptu B, Ashford P, Daviter T, Nobeli I.

PLoS One. 2012;7(5):e36612. doi: 10.1371/journal.pone.0036612. Epub 2012 May 8.

4.

Visualisation of variable binding pockets on protein surfaces by probabilistic analysis of related structure sets.

Ashford P, Moss DS, Alex A, Yeap SK, Povia A, Nobeli I, Williams MA.

BMC Bioinformatics. 2012 Mar 14;13:39. doi: 10.1186/1471-2105-13-39.

5.

Therapeutic target-site variability in α1-antitrypsin characterized at high resolution.

Patschull AO, Segu L, Nyon MP, Lomas DA, Nobeli I, Barrett TE, Gooptu B.

Acta Crystallogr Sect F Struct Biol Cryst Commun. 2011 Dec 1;67(Pt 12):1492-7. doi: 10.1107/S1744309111040267. Epub 2011 Nov 25.

6.

Targeting serpins in high-throughput and structure-based drug design.

Chang YP, Mahadeva R, Patschull AO, Nobeli I, Ekeowa UI, McKay AR, Thalassinos K, Irving JA, Haq I, Nyon MP, Christodoulou J, Ordóñez A, Miranda E, Gooptu B.

Methods Enzymol. 2011;501:139-75. doi: 10.1016/B978-0-12-385950-1.00008-0.

PMID:
22078534
7.

SERAPhiC: a benchmark for in silico fragment-based drug design.

Favia AD, Bottegoni G, Nobeli I, Bisignano P, Cavalli A.

J Chem Inf Model. 2011 Nov 28;51(11):2882-96. doi: 10.1021/ci2003363. Epub 2011 Oct 12.

PMID:
21936510
8.

Interaction of N-methyl-2-alkenyl-4-quinolones with ATP-dependent MurE ligase of Mycobacterium tuberculosis: antibacterial activity, molecular docking and inhibition kinetics.

Guzman JD, Wube A, Evangelopoulos D, Gupta A, Hüfner A, Basavannacharya C, Rahman MM, Thomaschitz C, Bauer R, McHugh TD, Nobeli I, Prieto JM, Gibbons S, Bucar F, Bhakta S.

J Antimicrob Chemother. 2011 Aug;66(8):1766-72. doi: 10.1093/jac/dkr203. Epub 2011 May 28.

9.

Mapping human metabolic pathways in the small molecule chemical space.

Macchiarulo A, Thornton JM, Nobeli I.

J Chem Inf Model. 2009 Oct;49(10):2272-89. doi: 10.1021/ci900196u.

PMID:
19795883
10.

Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design.

Gooptu B, Miranda E, Nobeli I, Mallya M, Purkiss A, Brown SC, Summers C, Phillips RL, Lomas DA, Barrett TE.

J Mol Biol. 2009 Apr 10;387(4):857-68. doi: 10.1016/j.jmb.2009.01.069. Epub 2009 Feb 14.

11.

Protein promiscuity and its implications for biotechnology.

Nobeli I, Favia AD, Thornton JM.

Nat Biotechnol. 2009 Feb;27(2):157-67. doi: 10.1038/nbt1519. Review.

PMID:
19204698
12.

Molecular docking for substrate identification: the short-chain dehydrogenases/reductases.

Favia AD, Nobeli I, Glaser F, Thornton JM.

J Mol Biol. 2008 Jan 18;375(3):855-74. Epub 2007 Nov 1.

PMID:
18036612
13.

PROCOGNATE: a cognate ligand domain mapping for enzymes.

Bashton M, Nobeli I, Thornton JM.

Nucleic Acids Res. 2008 Jan;36(Database issue):D618-22. Epub 2007 Aug 24.

14.

Cognate ligand domain mapping for enzymes.

Bashton M, Nobeli I, Thornton JM.

J Mol Biol. 2006 Dec 8;364(4):836-52. Epub 2006 Sep 20.

PMID:
17034815
15.

A bioinformatician's view of the metabolome.

Nobeli I, Thornton JM.

Bioessays. 2006 May;28(5):534-45. Review.

PMID:
16615085
16.

A ligand-centric analysis of the diversity and evolution of protein-ligand relationships in E.coli.

Nobeli I, Spriggs RV, George RA, Thornton JM.

J Mol Biol. 2005 Mar 25;347(2):415-36.

PMID:
15740750
17.

Ligand selectivity and competition between enzymes in silico.

Macchiarulo A, Nobeli I, Thornton JM.

Nat Biotechnol. 2004 Aug;22(8):1039-45.

PMID:
15286657
18.

A structure-based anatomy of the E.coli metabolome.

Nobeli I, Ponstingl H, Krissinel EB, Thornton JM.

J Mol Biol. 2003 Dec 5;334(4):697-719.

PMID:
14636597
19.

Using structural motif templates to identify proteins with DNA binding function.

Jones S, Barker JA, Nobeli I, Thornton JM.

Nucleic Acids Res. 2003 Jun 1;31(11):2811-23.

20.

On the molecular discrimination between adenine and guanine by proteins.

Nobeli I, Laskowski RA, Valdar WS, Thornton JM.

Nucleic Acids Res. 2001 Nov 1;29(21):4294-309.

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