Research Output

9 Scopus citations

Role of the oxyferrous heme intermediate and distal side adduct radical in the catalase activity of Mycobacterium tuberculosis KatG revealed by the W107F mutant

Zhao, X., Yu, S., Ranguelova, K., Suarez, J., Metlitsky, L., Schelvis, J. P. M. & Magliozzo, R. S., 13 Mar 2009, In : Journal of Biological Chemistry. 284, 11, p. 7030-7037 8 p.

Research output: Contribution to journalArticle

16 Scopus citations

Single-molecule protein unfolding in solid state nanopores

Talaga, D. S. & Li, J., 8 Jul 2009, In : Journal of the American Chemical Society. 131, 26, p. 9287-9297 11 p.

Research output: Contribution to journalArticle

266 Scopus citations

Stabilised phosphazides

Bebbington, M. W. P. & Bourissou, D., 1 May 2009, In : Coordination Chemistry Reviews. 253, 9-10, p. 1248-1261 14 p.

Research output: Contribution to journalReview article

33 Scopus citations

Tetrahydrocarbazole-based serotonin reuptake inhibitor/dopamine D2 partial agonists for the potential treatment of schizophrenia

Rotella, D. P., McFarlane, G. R., Greenfield, A., Grosanu, C., Robichaud, A. J., Denny, R. A., Feenstra, R. W., Núñez-García, S., Reinders, J. H., Neut, M. V. D., McCreary, A., Kruse, C. G., Sullivan, K., Pruthi, F., Lai, M., Zhang, J., Kowal, D. M., Carrick, T., Grauer, S. M., Navarra, R. L. & 4 others, Graf, R., Brennan, J., Marquis, K. L. & Pausch, M. H., 1 Oct 2009, In : Bioorganic and Medicinal Chemistry Letters. 19, 19, p. 5552-5555 4 p.

Research output: Contribution to journalArticle

14 Scopus citations

The influence of initial conditions on charge transfer dynamics

Eshuis, H. & Van Voorhis, T., 19 Nov 2009, In : Physical Chemistry Chemical Physics. 11, 44, p. 10293-10298 6 p.

Research output: Contribution to journalArticle

14 Scopus citations
2008

Allosteric regulation and catalysis emerge via a common route

Goodey, N. M. & Benkovic, S. J., Aug 2008, In : Nature Chemical Biology. 4, 8, p. 474-482 9 p.

Research output: Contribution to journalReview article

452 Scopus citations

American Chemical Society - 235th national meeting: Part 3

Rotella, D., 1 Jun 2008, In : IDrugs. 11, 6, p. 394-396 3 p.

Research output: Contribution to journalArticle

American Chemical Society - 236th National Meeting & Exposition. Drug development for tuberculosis and cancer

Rotella, D. P., 1 Oct 2008, In : IDrugs. 11, 10, p. 699-701 3 p.

Research output: Contribution to journalArticle

American Chemical Society - 236th National Meeting & Exposition. New Frontiers in Drug Delivery

Rotella, D. P., 1 Oct 2008, In : IDrugs. 11, 10, p. 702-704 3 p.

Research output: Contribution to journalArticle

19 Scopus citations

Differences in a conformational equilibrium distinguish catalysis by the endothelial and neuronal nitric-oxide synthase flavoproteins

Ilagan, R. P., Tiso, M., Konas, D. W., Hemann, C., Durra, D., Hille, R. & Stuehr, D. J., 11 Jul 2008, In : Journal of Biological Chemistry. 283, 28, p. 19603-19615 13 p.

Research output: Contribution to journalArticle

45 Scopus citations

Dynamics of molecules in strong oscillating electric fields using time-dependent Hartree-Fock theory

Eshuis, H., Balint-Kurti, G. G. & Manby, F. R., 28 Mar 2008, In : Journal of Chemical Physics. 128, 11, 114113.

Research output: Contribution to journalArticle

26 Scopus citations

Effect of the cyclobutane cytidine dimer on the properties of Escherichia coli DNA photolyase

Murphy, A. K., Tammaro, M., Cortazar, F., Gindt, Y. M. & Schelvis, J. P. M., 27 Nov 2008, In : Journal of Physical Chemistry B. 112, 47, p. 15217-15226 10 p.

Research output: Contribution to journalArticle

11 Scopus citations

Fluoride ion chelation by a bidentate phosphonium/borane lewis acid

Hudnall, T. W., Kim, Y. M., Bebbington, M. W. P., Bourissou, D. & Gabbaï, F. P., 20 Aug 2008, In : Journal of the American Chemical Society. 130, 33, p. 10890-10891 2 p.

Research output: Contribution to journalArticle

178 Scopus citations
7 Scopus citations

Impact of distal side water and residue 315 on ligand binding to ferric Mycobacterium tuberculosis catalase - Peroxidase (KatG)

Ranguelova, K., Suarez, J., Metlitsky, L., Yu, S., Brejt, S. Z., Brejt, S. Z., Zhao, L., Schelvis, J. P. M. & Magliozzo, R. S., 25 Nov 2008, In : Biochemistry. 47, 47, p. 12583-12592 10 p.

Research output: Contribution to journalArticle

9 Scopus citations

Medicinal Chemistry - XXth International Symposium. Lead finding strategies and kinase selectivity

Rotella, D. P., 1 Nov 2008, In : IDrugs. 11, 11, p. 774-778 5 p.

Research output: Contribution to journalArticle

Medicinal Chemistry - XXth International Symposium. Natural products and neurodegenerative diseases

Rotella, D. P., 1 Nov 2008, In : IDrugs. 11, 11, p. 779-782 4 p.

Research output: Contribution to journalArticle

Separation and analysis of dynamic stokes shift with multiple fluorescence environments: Coumarin 153 in bovine β-lactoglobulin A

Pronchik, J., Giurleo, J. T. & Talaga, D. S., 11 Sep 2008, In : Journal of Physical Chemistry B. 112, 36, p. 11422-11434 13 p.

Research output: Contribution to journalArticle

3 Scopus citations

Tranilast: A pharmaceutical candidate for reduction of adhesions using a novel approach

Petrilli, J., Wadsworth, S., Cooper, K., Rodgers, K. E., Siekierka, J. & DiZerega, G. S., 1 Jul 2008, In : Seminars in Reproductive Medicine. 26, 4, p. 341-348 8 p.

Research output: Contribution to journalReview article

4 Scopus citations

β-Lactoglobulin Assembles into Amyloid through Sequential Aggregated Intermediates

Giurleo, J. T., He, X. & Talaga, D. S., 19 Sep 2008, In : Journal of Molecular Biology. 381, 5, p. 1332-1348 17 p.

Research output: Contribution to journalArticle

51 Scopus citations
2007

3,3′,5,5′-Tetramethylbiphenyl-4,4′-dicarbonitrile

Britton, D. & De Silva, S. A., 1 Dec 2007, In : Acta Crystallographica Section E: Structure Reports Online. 63, 5

Research output: Contribution to journalArticle

Ambiphilic compounds: Synthesis and structure of a phosphane-borane with a flexible diphenyl ether tether

Bebbington, M. W. P., Bouhadir, G. & Bourissou, D., 1 Oct 2007, In : European Journal of Organic Chemistry. 27, p. 4483-4486 4 p.

Research output: Contribution to journalArticle

15 Scopus citations

American Chemical Society - 233rd national meeting. CNS, cancer and cardiovascular targets

Rotella, D., 1 May 2007, In : IDrugs. 10, 5, p. 310-312 3 p.

Research output: Contribution to journalArticle

American Chemical Society - 234th National meeting - Syntheses of novel compounds and data on novel therapeutics

Rotella, D., 1 Oct 2007, In : IDrugs. 10, 10, p. 681-685 5 p.

Research output: Contribution to journalArticle

Chapter 1 Potential CNS Applications for Phosphodiesterase Enzyme Inhibitors

Brandon, N. J. & Rotella, D. P., 15 Nov 2007, Annual Reports in Medicinal Chemistry. Macor, J. (ed.). p. 3-12 10 p. (Annual Reports in Medicinal Chemistry; vol. 42).

Research output: Chapter in Book/Report/Conference proceedingChapter

16 Scopus citations

Drugs designed to inhibit human p38 mitogen-activated protein kinase activation treat Toxoplasma gondii and Encephalitozoon cuniculi infection

Wei, S., Daniel, B. J., Brumlik, M. J., Burow, M. E., Zou, W., Khan, I. A., Wadsworth, S., Siekierka, J. & Curiel, T. J., 1 Dec 2007, In : Antimicrobial Agents and Chemotherapy. 51, 12, p. 4324-4328 5 p.

Research output: Contribution to journalArticle

21 Scopus citations

Efficient soluble polymer-supported tartrate/Ti catalyst for asymmetric oxidation of prochiral sulfides

Gao, J., Guo, H., Liu, S. & Wang, M., 26 Nov 2007, In : Tetrahedron Letters. 48, 48, p. 8453-8455 3 p.

Research output: Contribution to journalArticle

24 Scopus citations

Markov processes in single molecule fluorescence

Talaga, D. S., 1 Dec 2007, In : Current Opinion in Colloid and Interface Science. 12, 6, p. 285-296 12 p.

Research output: Contribution to journalReview article

29 Scopus citations

Modification of the active site of Mycobacterium tuberculosis KatG after disruption of the Met-Tyr-Trp cross-linked adduct

Kapetanaki, S. M., Zhao, X., Yu, S., Magliozzo, R. S. & Schelvis, J. P. M., 1 Mar 2007, In : Journal of Inorganic Biochemistry. 101, 3, p. 422-433 12 p.

Research output: Contribution to journalArticle

9 Scopus citations

New advances of asymmetric cyclopropanation reactions using chiral metal catalysts

Gao, J. S., Bian, Q. H., Guo, H. C. & Wang, M., 1 Apr 2007, In : Chinese Journal of Organic Chemistry. 27, 4, p. 438-448 11 p.

Research output: Contribution to journalArticle

2 Scopus citations

Photoisomerizable heterodienes derived from a phosphine borane

Bebbington, M. W. P., Bontemps, S., Bouhadir, G. & Bourissou, D., 2 Jul 2007, In : Angewandte Chemie - International Edition. 46, 18, p. 3333-3336 4 p.

Research output: Contribution to journalArticle

71 Scopus citations

Potent non-nitrile dipeptidic dipeptidyl peptidase IV inhibitors

Simpkins, L. M., Bolton, S., Pi, Z., Sutton, J. C., Kwon, C., Zhao, G., Magnin, D. R., Augeri, D. J., Gungor, T., Rotella, D. P., Sun, Z., Liu, Y., Slusarchyk, W. S., Marcinkeviciene, J., Robertson, J. G., Wang, A., Robl, J. A., Atwal, K. S., Zahler, R. L., Parker, R. A. & 2 others, Kirby, M. S. & Hamann, L. G., 1 Dec 2007, In : Bioorganic and Medicinal Chemistry Letters. 17, 23, p. 6476-6480 5 p.

Research output: Contribution to journalArticle

23 Scopus citations

Protein free energy landscapes remodeled by ligand binding

Messina, T. C. & Talaga, D. S., Jul 2007, In : Biophysical Journal. 93, 2, p. 579-585 7 p.

Research output: Contribution to journalArticle

Open Access
12 Scopus citations

Redox titration of ferricyanide to ferrocyanide with ascorbic acid: Illustrating the Nernst equation and beer-Lambert law

Huang, T. H., Salter, G., Kahn, S. L. & Gindt, Y. M., 1 Sep 2007, In : Journal of Chemical Education. 84, 9, p. 1461-1463 3 p.

Research output: Contribution to journalArticle

13 Scopus citations

Reductase domain of Drosophila melanogaster nitric-oxide synthase: Redox transformations, regulation, and similarity to mammalian homologues

Ray, S. S., Sengupta, R., Tiso, M., Haque, M. M., Sahoo, R., Konas, D. W., Aulak, K., Regulski, M., Tully, T., Stuehr, D. J. & Ghosh, S., 23 Oct 2007, In : Biochemistry. 46, 42, p. 11865-11873 9 p.

Research output: Contribution to journalArticle

7 Scopus citations

Resonance Raman spectroscopic investigation of the light-harvesting chromophore in Escherichia coli photolyase and Vibrio cholerae cryptochrome-1

Sokolova, O., Cecala, C., Gopal, A., Cortazar, F., McDowell-Buchanan, C., Sancar, A., Gindt, Y. M. & Schelvis, J. P. M., 27 Mar 2007, In : Biochemistry. 46, 12, p. 3673-3681 9 p.

Research output: Contribution to journalArticle

9 Scopus citations

Structural studies examining the substrate specificity profiles of PC-PLCBc protein variants

Benfield, A. P., Goodey, N. M., Phillips, L. T. & Martin, S. F., 1 Apr 2007, In : Archives of Biochemistry and Biophysics. 460, 1, p. 41-47 7 p.

Research output: Contribution to journalArticle

17 Scopus citations

The high-resolution NMR structure of the R21A Spc-SH3:P41 complex: Understanding the determinants of binding affinity by comparison with Abl-SH3

Casares, S., Ab, E., Eshuis, H., Lopez-Mayorga, O., Van Nuland, N. A. J. & Conejero-Lara, F., 27 Apr 2007, In : BMC Structural Biology. 7, 22.

Research output: Contribution to journalArticle

22 Scopus citations
2006

A coumarin based fluorescent photoinduced electron transfer cation sensor

Kulatilleke, C. P., de Silva, S. A. & Eliav, Y., 11 Sep 2006, In : Polyhedron. 25, 13, p. 2593-2596 4 p.

Research output: Contribution to journalArticle

53 Scopus citations

American chemical society 232nd national meeting. 10-14 September 2006, San Francisco, CA, USA

Rotella, D., 1 Nov 2006, In : IDrugs. 9, 11, p. 745-747 3 p.

Research output: Contribution to journalArticle

A multiplexed proteomics approach to differentiate neurite outgrowth patterns

Liu, T., D'mello, V., Deng, L., Hu, J., Ricardo, M., Pan, S., Lu, X., Wadsworth, S., Siekierka, J., Birge, R. & Li, H., 15 Nov 2006, In : Journal of Neuroscience Methods. 158, 1, p. 22-29 8 p.

Research output: Contribution to journalArticle

13 Scopus citations

COMP-Structure-Based Design and Development of Estrogen Receptor Modulators. 10-14 September 2006, San Francisco, CA, USA

Rotella, D., 1 Nov 2006, In : IDrugs. 9, 11, p. 748-750 3 p.

Research output: Contribution to journalArticle

1 Scopus citations

Coordinated effects of distal mutations on environmentally coupled tunneling in dihydrofolate reductase

Wang, L., Goodey, N. M., Benkovic, S. J. & Kohen, A., 24 Oct 2006, In : Proceedings of the National Academy of Sciences of the United States of America. 103, 43, p. 15753-15758 6 p.

Research output: Contribution to journalArticle

137 Scopus citations

Effects of drug combinations on smooth muscle cell proliferation: An isobolographic analysis

Parry, T. J., Thyagarajan, R., Argentieri, D., Falotico, R., Siekierka, J. & Tallarida, R. J., 17 Feb 2006, In : European Journal of Pharmacology. 532, 1-2, p. 38-43 6 p.

Research output: Contribution to journalArticle

6 Scopus citations