Protein promiscuity and its implications for biotechnology I Nobeli, AD Favia, JM Thornton Nature biotechnology 27 (2), 157-167, 2009 | 567 | 2009 |
A structure-based anatomy of the E. coli metabolome I Nobeli, H Ponstingl, EB Krissinel, JM Thornton Journal of molecular biology 334 (4), 697-719, 2003 | 153 | 2003 |
Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism C Bagnéris, PG DeCaen, CE Naylor, DC Pryde, I Nobeli, DE Clapham, ... Proceedings of the National Academy of Sciences 111 (23), 8428-8433, 2014 | 149 | 2014 |
Hydrogen bonding properties of oxygen and nitrogen acceptors in aromatic heterocycles I Nobeli, SL Price, JPM Lommerse, R Taylor Journal of computational chemistry 18 (16), 2060-2074, 1997 | 136 | 1997 |
A bioinformatician's view of the metabolome I Nobeli, JM Thornton Bioessays 28 (5), 534-545, 2006 | 117 | 2006 |
On the molecular discrimination between adenine and guanine by proteins I Nobeli, RA Laskowski, WSJ Valdar, JM Thornton Nucleic Acids Research 29 (21), 4294-4309, 2001 | 106 | 2001 |
Ligand selectivity and competition between enzymes in silico A Macchiarulo, I Nobeli, JM Thornton Nature biotechnology 22 (8), 1039-1045, 2004 | 95 | 2004 |
Molecular docking for substrate identification: the short-chain dehydrogenases/reductases AD Favia, I Nobeli, F Glaser, JM Thornton Journal of molecular biology 375 (3), 855-874, 2008 | 77 | 2008 |
Using structural motif templates to identify proteins with DNA binding function S Jones, JA Barker, I Nobeli, JM Thornton Nucleic acids research 31 (11), 2811-2823, 2003 | 77 | 2003 |
Are all short O–H··· O contacts hydrogen bonds? A quantitative look at the nature of O–H··· O intermolecular hydrogen bonds JJ Novoa, I Nobeli, F Grepioni, D Braga New Journal of Chemistry 24 (1), 5-8, 2000 | 56 | 2000 |
PROCOGNATE: a cognate ligand domain mapping for enzymes M Bashton, I Nobeli, JM Thornton Nucleic acids research 36 (suppl_1), D618-D622, 2007 | 52 | 2007 |
Therapeutic target-site variability in α1-antitrypsin characterized at high resolution AOM Patschull, L Segu, MP Nyon, DA Lomas, I Nobeli, TE Barrett, ... Acta Crystallographica Section F: Structural Biology and Crystallization …, 2011 | 50 | 2011 |
In Silico Assessment of Potential Druggable Pockets on the Surface of α1-Antitrypsin Conformers AOM Patschull, B Gooptu, P Ashford, T Daviter, I Nobeli PLoS One 7 (5), e36612, 2012 | 49 | 2012 |
A non-empirical intermolecular potential for oxalic acid crystal structures I Nobeli, SL Price The Journal of Physical Chemistry A 103 (32), 6448-6457, 1999 | 49 | 1999 |
A text-mining system for extracting metabolic reactions from full-text articles J Czarnecki, I Nobeli, AM Smith, AJ Shepherd BMC bioinformatics 13 (1), 1-14, 2012 | 47 | 2012 |
Interaction of N-methyl-2-alkenyl-4-quinolones with ATP-dependent MurE ligase of Mycobacterium tuberculosis: antibacterial activity, molecular docking and … JD Guzman, A Wube, D Evangelopoulos, A Gupta, A Hüfner, ... Journal of antimicrobial chemotherapy 66 (8), 1766-1772, 2011 | 44 | 2011 |
Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of α1-antitrypsin: implications for disease and drug design B Gooptu, E Miranda, I Nobeli, M Mallya, A Purkiss, SCL Brown, ... Journal of molecular biology 387 (4), 857-868, 2009 | 44 | 2009 |
Evaluation of a knowledge‐based potential of mean force for scoring docked protein–ligand complexes I Nobeli, JBO Mitchell, A Alex, JM Thornton Journal of Computational Chemistry 22 (7), 673-688, 2001 | 37 | 2001 |
A ligand-centric analysis of the diversity and evolution of protein–ligand relationships in E. coli I Nobeli, RV Spriggs, RA George, JM Thornton Journal of molecular biology 347 (2), 415-436, 2005 | 31 | 2005 |
Cognate ligand domain mapping for enzymes M Bashton, I Nobeli, JM Thornton Journal of molecular biology 364 (4), 836-852, 2006 | 30 | 2006 |