Irilenia Nobeli - Publications


27 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Bagnéris C, DeCaen PG, Naylor CE, Pryde DC, Nobeli I, Clapham DE, Wallace BA. Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proceedings of the National Academy of Sciences of the United States of America. 111: 8428-33. PMID 24850863 DOI: 10.1073/pnas.1406855111  1
2012 Czarnecki J, Nobeli I, Smith AM, Shepherd AJ. A text-mining system for extracting metabolic reactions from full-text articles. Bmc Bioinformatics. 13: 172. PMID 22823282 DOI: 10.1186/1471-2105-13-172  1
2012 Patschull AO, Gooptu B, Ashford P, Daviter T, Nobeli I. In silico assessment of potential druggable pockets on the surface of α1-antitrypsin conformers. Plos One. 7: e36612. PMID 22590577 DOI: 10.1371/journal.pone.0036612  1
2012 Ashford P, Moss DS, Alex A, Yeap SK, Povia A, Nobeli I, Williams MA. Visualisation of variable binding pockets on protein surfaces by probabilistic analysis of related structure sets. Bmc Bioinformatics. 13: 39. PMID 22417279 DOI: 10.1186/1471-2105-13-39  1
2011 Patschull AO, Segu L, Nyon MP, Lomas DA, Nobeli I, Barrett TE, Gooptu B. Therapeutic target-site variability in α1-antitrypsin characterized at high resolution. Acta Crystallographica. Section F, Structural Biology and Crystallization Communications. 67: 1492-7. PMID 22139150 DOI: 10.1107/S1744309111040267  1
2011 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. Targeting serpins in high-throughput and structure-based drug design. Methods in Enzymology. 501: 139-75. PMID 22078534 DOI: 10.1016/B978-0-12-385950-1.00008-0  1
2011 Favia AD, Bottegoni G, Nobeli I, Bisignano P, Cavalli A. SERAPhiC: a benchmark for in silico fragment-based drug design. Journal of Chemical Information and Modeling. 51: 2882-96. PMID 21936510 DOI: 10.1021/ci2003363  1
2011 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. Interaction of N-methyl-2-alkenyl-4-quinolones with ATP-dependent MurE ligase of Mycobacterium tuberculosis: antibacterial activity, molecular docking and inhibition kinetics. The Journal of Antimicrobial Chemotherapy. 66: 1766-72. PMID 21622974 DOI: 10.1093/jac/dkr203  1
2011 Favia AD, Nobeli I. Using Chemical Structure to Infer Biological Function Computational Approaches in Cheminformatics and Bioinformatics. 211-238. DOI: 10.1002/9781118131411.ch8  1
2009 Macchiarulo A, Thornton JM, Nobeli I. Mapping human metabolic pathways in the small molecule chemical space. Journal of Chemical Information and Modeling. 49: 2272-89. PMID 19795883 DOI: 10.1021/ci900196u  1
2009 Gooptu B, Miranda E, Nobeli I, Mallya M, Purkiss A, Brown SC, Summers C, Phillips RL, Lomas DA, Barrett TE. Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design. Journal of Molecular Biology. 387: 857-68. PMID 19232354 DOI: 10.1016/j.jmb.2009.01.069  1
2009 Nobeli I, Favia AD, Thornton JM. Protein promiscuity and its implications for biotechnology. Nature Biotechnology. 27: 157-67. PMID 19204698 DOI: 10.1038/nbt1519  1
2008 Favia AD, Nobeli I, Glaser F, Thornton JM. Molecular docking for substrate identification: the short-chain dehydrogenases/reductases. Journal of Molecular Biology. 375: 855-74. PMID 18036612 DOI: 10.1016/j.jmb.2007.10.065  1
2008 Bashton M, Nobeli I, Thornton JM. PROCOGNATE: a cognate ligand domain mapping for enzymes. Nucleic Acids Research. 36: D618-22. PMID 17720712 DOI: 10.1093/nar/gkm611  1
2006 Bashton M, Nobeli I, Thornton JM. Cognate ligand domain mapping for enzymes. Journal of Molecular Biology. 364: 836-52. PMID 17034815 DOI: 10.1016/j.jmb.2006.09.041  1
2006 Nobeli I, Thornton JM. A bioinformatician's view of the metabolome. Bioessays : News and Reviews in Molecular, Cellular and Developmental Biology. 28: 534-45. PMID 16615085 DOI: 10.1002/bies.20414  1
2005 Nobeli I, Spriggs RV, George RA, Thornton JM. A ligand-centric analysis of the diversity and evolution of protein-ligand relationships in E.coli. Journal of Molecular Biology. 347: 415-36. PMID 15740750 DOI: 10.1016/j.jmb.2005.01.061  1
2004 Macchiarulo A, Nobeli I, Thornton JM. Ligand selectivity and competition between enzymes in silico. Nature Biotechnology. 22: 1039-45. PMID 15286657 DOI: 10.1038/nbt999  1
2003 Nobeli I, Ponstingl H, Krissinel EB, Thornton JM. A structure-based anatomy of the E.coli metabolome. Journal of Molecular Biology. 334: 697-719. PMID 14636597 DOI: 10.1016/j.jmb.2003.10.008  1
2003 Jones S, Barker JA, Nobeli I, Thornton JM. Using structural motif templates to identify proteins with DNA binding function. Nucleic Acids Research. 31: 2811-23. PMID 12771208 DOI: 10.1093/nar/gkg386  1
2001 Nobeli I, Laskowski RA, Valdar WS, Thornton JM. On the molecular discrimination between adenine and guanine by proteins. Nucleic Acids Research. 29: 4294-309. PMID 11691917  1
2001 Nobeli I. Evaluation of a knowledge-based potential of mean force for scoring docked protein-ligand complexes Journal of Computational Chemistry. 22: 673-688. DOI: 10.1002/jcc.1036  1
2000 Novoa JJ, Nobeli I, Grepioni F, Braga D. Are all short O-H···O contacts hydrogen bonds? A quantitative look at the nature of O-H···O intermolecular hydrogen bonds New Journal of Chemistry. 24: 5-8. DOI: 10.1039/A907732D  1
1999 Nobeli I, Price SL. A Non-Empirical Intermolecular Potential for Oxalic Acid Crystal Structures Journal of Physical Chemistry A. 103: 6448-6457.  1
1998 Nobeli I, Price SL, Wheatley RJ. Use of molecular overlap to predict intermolecular repulsion in N ⋯ H - O hydrogen bonds Molecular Physics. 95: 525-537.  1
1997 Nobeli I, Yeoh SL, Price SL, Taylor R. On the hydrogen bonding abilities of phenols and anisoles Chemical Physics Letters. 280: 196-202.  1
1997 Nobeli I, Price SL, Lommerse JPM, Taylor R. Hydrogen bonding properties of oxygen and nitrogen acceptors in aromatic heterocycles Journal of Computational Chemistry. 18: 2060-2074.  1
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