January 2008

Favia, A.D. and Nobeli, Irilenia and Glaser, F. and Thornton, Janet M. (2008) Molecular docking for substrate identification: The short-chain dehydrogenases/reductases. Journal of Molecular Biology 375 (3), pp. 855-874. ISSN 0022-2836.

Bashton, M. and Nobeli, Irilenia and Thornton, Janet M. (2008) Procognate: a cognate ligand domain mapping for enzymes. Nucleic Acids Research 36 , D618-D622. ISSN 0305-1048.

June 2008

Thornton, Janet M. and Favia, A.D. and Nobeli, Irilenia and Furnham, N. (2008) The evolution of specificity in large protein families. In: 33rd FEBS Congress & 11th IUBMB Conference: Biochemistry of Cell Regulation, June 28-July 3 2008, Athens, Greece.

9 February 2009

Nobeli, Irilenia and Favia, A.D. and Thornton, Janet M. (2009) Protein promiscuity and its implications for biotechnology. Nature Biotechnology 27 , pp. 157-167. ISSN 1087-0156.

April 2009

Gooptu, Bibek and Miranda, E. and Nobeli, Irilenia and Mallya, M. and Purkiss, Andrew G. and Leigh Brown, S.C. and Summers, C. and Phillips, R.L. and Lomas, D.A. and Barrett, Tracey E. (2009) Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of α1-Antitrypsin: implications for disease and drug design. Journal of Molecular Biology 387 (4), pp. 857-868. ISSN 0022-2836.

October 2009

Macchiarulo, A. and Thornton, Janet M. and Nobeli, Irilenia (2009) Mapping human metabolic pathways in the small molecule chemical space. Journal of Chemical Information and Modelling 49 (10), pp. 2272-2289. ISSN 1549-9596.

2011

Patschull, Anathe O.M. and Segu, Lakshmi and Nyon, Mun Peak and Lomas, D.A. and Nobeli, Irilenia and Barrett, Tracey E. and Gooptu, Bibek (2011) Therapeutic target-site variability in α1-antitrypsin characterized at high resolution. Acta Crystallographica Section F Structural Biology and Crystallization Communications 67 (12), pp. 1492-1497. ISSN 1744-3091.

August 2011

Guzman, Juan D. and Wube, A. and Evangelopoulos, Dimitrios and Gupta, Antima and Hufner, A. and Basavannacharya, Chandrakala and Rahman, M.M. and Thomaschitz, C. and Bauer, R. and McHugh, T.D. and Nobeli, Irilenia and Prieto, J.M. and Gibbons, S. and Bucar, F. and Bhakta, Sanjib (2011) Interaction of N-methyl-2-alkenyl-4-quinolones with ATP-dependent MurE ligase of Mycobacterium tuberculosis: antibacterial activity, molecular docking and inhibition kinetics. Journal of Antimicrobial Chemotherapy 66 (8), pp. 1766-1772. ISSN 0305-7453.

November 2011

Favia, A.D. and Nobeli, Irilenia (2011) Using chemical structure to infer biological function. In: Guha, R. and Bender, A. (eds.) Computational Approaches in Cheminformatics and Bioinformatics. Hoboken, U.S.: Wiley, pp. 211-238. ISBN 9780470384411.

5 December 2011

Chang, Y.-P. and Mahadeva, R. and Patschull, A.O.M. and Nobeli, Irilenia and Ekeowa, U.I. and McKay, A.R. and Thalassinos, Konstantinos and Irving, J.A. and Haq, I. and Nyon, Mun Peak and Christodoulou, John and Ordóñez, A. and Miranda, E. and Gooptu, Bibek (2011) Targeting serpins in high-throughput and structure-based drug design. In: Whisstock, J.C. and Bird, P.I. (eds.) Serpin Structure and Evolution. Methods In Enzymology 501. New York, U.S.: Elsevier, pp. 139-175. ISBN 9780123859501.

14 March 2012

Ashford, Paul and Moss, David S. and Alex, A. and Yeap, S.K. and Povia, Alice and Nobeli, Irilenia and Williams, Mark A. (2012) Visualization of variable binding pockets on protein surfaces by probabilistic analysis of related structure sets. BMC Bioinformatics 13 , p. 39. ISSN 1471-2105.

May 2012

Patschull, Anathe O.M. and Gooptu, Bibek and Ashford, Paul and Daviter, Tina and Nobeli, Irilenia (2012) In silico assessment of potential druggable pockets on the surface of α1-Antitrypsin conformers. PLoS One 7 (5), ISSN 1932-6203.

23 July 2012

Czarnecki, Jan M. and Nobeli, Irilenia and Smith, Adrian M.L. and Shepherd, Adrian J. (2012) A text-mining system for extracting metabolic reactions from full-text articles. BMC Bioinformatics 13 (172), ISSN 1471-2105.

10 June 2014

Bagneris, Claire and DeCaen, P.G. and Naylor, Claire E. and Pryde, D.C. and Nobeli, Irilenia and Clapham, D.E. and Wallace, Bonnie A. (2014) 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 (23), pp. 8428-8433. ISSN 0027-8424.