Publications

Found 33 results
Filters: Keyword is Models, Chemical  [Clear All Filters]
2017
Wohlkonig, A., Remaut H., Moune M., Tanina A., Meyer F., Desroses M., Steyaert J., Willand N., Baulard A. R., and Wintjens R., "Structural analysis of the interaction between spiroisoxazoline SMARt-420 and the Mycobacterium tuberculosis repressor EthR2.", Biochem Biophys Res Commun, vol. 487, issue 2, pp. 403-408, 2017 May 27.
2014
Macossay-Castillo, M., Kosol S., Tompa P., and Pancsa R., "Synonymous constraint elements show a tendency to encode intrinsically disordered protein segments.", PLoS Comput Biol, vol. 10, issue 5, pp. e1003607, 2014 May.
2013
Song, J., Ng S. Chun, Tompa P., Lee K. A. W., and Chan H. Sun, "Polycation-π interactions are a driving force for molecular recognition by an intrinsically disordered oncoprotein family.", PLoS Comput Biol, vol. 9, issue 9, pp. e1003239, 2013.
Roos, G., Foloppe N., and Messens J., "Understanding the pK(a) of redox cysteines: the key role of hydrogen bonding.", Antioxid Redox Signal, vol. 18, issue 1, pp. 94-127, 2013 Jan 01.
2010
Lensink, M. F., and Wodak S. J., "Blind predictions of protein interfaces by docking calculations in CAPRI.", Proteins, vol. 78, issue 15, pp. 3085-95, 2010 Nov 15.
Berg, M., Kohl L., Van der Veken P., Joossens J., Al-Salabi M. I., Castagna V., Giannese F., Cos P., Versées W., Steyaert J., et al., "Evaluation of nucleoside hydrolase inhibitors for treatment of African trypanosomiasis.", Antimicrob Agents Chemother, vol. 54, issue 5, pp. 1900-8, 2010 May.
2009
Roos, G., Foloppe N., Van Laer K., Wyns L., Nilsson L., Geerlings P., and Messens J., "How thioredoxin dissociates its mixed disulfide.", PLoS Comput Biol, vol. 5, issue 8, pp. e1000461, 2009 Aug.
2008
Hegyi, H., and Tompa P., "Intrinsically disordered proteins display no preference for chaperone binding in vivo.", PLoS Comput Biol, vol. 4, issue 3, pp. e1000017, 2008 Mar.
2007
Goeminne, A., McNaughton M., Bal G., Surpateanu G., Van der Veken P., De Prol S., Versées W., Steyaert J., Apers S., Haemers A., et al., "1,2,3-Triazolylalkylribitol derivatives as nucleoside hydrolase inhibitors.", Bioorg Med Chem Lett, vol. 17, issue 9, pp. 2523-6, 2007 May 1.
Versées, W., Spaepen S., Vanderleyden J., and Steyaert J., "The crystal structure of phenylpyruvate decarboxylase from Azospirillum brasilense at 1.5 A resolution. Implications for its catalytic and regulatory mechanism.", FEBS J, vol. 274, issue 9, pp. 2363-75, 2007 May.
Fuxreiter, M., Tompa P., and Simon I., "Local structural disorder imparts plasticity on linear motifs.", Bioinformatics, vol. 23, issue 8, pp. 950-6, 2007 Apr 15.
Palló, A., Bencsura A., Héja L., Beke T., Perczel A., Kardos J., and Simon A., "Major human gamma-aminobutyrate transporter: in silico prediction of substrate efficacy.", Biochem Biophys Res Commun, vol. 364, issue 4, pp. 952-8, 2007 Dec 28.
Mészáros, B., Tompa P., Simon I., and Dosztányi Z., "Molecular principles of the interactions of disordered proteins.", J Mol Biol, vol. 372, issue 2, pp. 549-61, 2007 Sep 14.
Dessailly, B. H., Lensink M. F., and Wodak S. J., "Relating destabilizing regions to known functional sites in proteins.", BMC Bioinformatics, vol. 8, pp. 141, 2007.
Guharoy, M., and Chakrabarti P., "Secondary structure based analysis and classification of biological interfaces: identification of binding motifs in protein-protein interactions.", Bioinformatics, vol. 23, issue 15, pp. 1909-18, 2007 Aug 1.
2006
Vandemeulebroucke, A., Versées W., Steyaert J., and Barlow J. N., "Multiple transients in the pre-steady-state of nucleoside hydrolase reveal complex substrate binding, product base release, and two apparent rates of chemistry.", Biochemistry, vol. 45, issue 30, pp. 9307-18, 2006 Aug 1.
2005
Fogh, R. H., Boucher W., Vranken W. F., Pajon A., Stevens T. J., Bhat T. N., Westbrook J., Ionides J. M. C., and Laue E. D., "A framework for scientific data modeling and automated software development.", Bioinformatics, vol. 21, issue 8, pp. 1678-84, 2005 Apr 15.
Mignon, P., Loverix S., Steyaert J., and Geerlings P., "Influence of the pi-pi interaction on the hydrogen bonding capacity of stacked DNA/RNA bases.", Nucleic Acids Res, vol. 33, issue 6, pp. 1779-89, 2005.
Dosztányi, Z., Csizmok V., Tompa P., and Simon I., "IUPred: web server for the prediction of intrinsically unstructured regions of proteins based on estimated energy content.", Bioinformatics, vol. 21, issue 16, pp. 3433-4, 2005 Aug 15.
Dosztányi, Z., Csizmok V., Tompa P., and Simon I., "The pairwise energy content estimated from amino acid composition discriminates between folded and intrinsically unstructured proteins.", J Mol Biol, vol. 347, issue 4, pp. 827-39, 2005 Apr 8.
Bernard, C., Houben K., Derix N. M., Marks D., van der Horst M. A., Hellingwerf K. J., Boelens R., Kaptein R., and van Nuland N. A. J., "The solution structure of a transient photoreceptor intermediate: Delta25 photoactive yellow protein.", Structure, vol. 13, issue 7, pp. 953-62, 2005 Jul.
Loverix, S., Geerlings P., McNaughton M., Augustyns K., Vandemeulebroucke A., Steyaert J., and Versées W., "Substrate-assisted leaving group activation in enzyme-catalyzed N-glycosidic bond cleavage.", J Biol Chem, vol. 280, issue 15, pp. 14799-802, 2005 Apr 15.
2002
Mignon, P., Steyaert J., Loris R., Geerlings P., and Loverix S., "A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study.", J Biol Chem, vol. 277, issue 39, pp. 36770-4, 2002 Sep 27.
Vranken, W. F., James S., Bennett H. P. J., and Ni F., "Solution structures of a 30-residue amino-terminal domain of the carp granulin-1 protein and its amino-terminally truncated 3-30 subfragment: implications for the conformational stability of the stack of two beta-hairpins.", Proteins, vol. 47, issue 1, pp. 14-24, 2002 Apr 1.
2001
Deswarte, J., De Vos S., Langhorst U., Steyaert J., and Loris R., "The contribution of metal ions to the conformational stability of ribonuclease T1: crystal versus solution.", Eur J Biochem, vol. 268, issue 14, pp. 3993-4000, 2001 Jul.

Pages