个人简介

Ph.D., University Frankfurt, 2001

研究领域

Physical Chemistry Computational Structural Biochemistry Chemical Biology Center for Structural Biology Biophysical Chemistry Biochemistry

Research in our laboratory seeks to fuse computational and experimental efforts to investigate proteins, the fundamental molecules of biology, and their interactions with small molecule substrates, therapeutics, or probes. We develop computational methods with three major ambitions in mind: 1) to enable protein structure elucidation of membrane proteins – the primary target of most therapeutics – and large macromolecular complexes such as viruses; 2) design proteins with novel structure and/or function to explore novel approaches to protein therapeutics and deepen our understanding of protein folding pathways, and 3) understand the relation between chemical structure and biological activity quantitatively in order to design more efficient and more specific drugs. Crucial for our success is the experimental validation of our computational approaches which we pursue in our laboratory or in collaboration with other scientists. For a complete list of research projects please visit www.meilerlab.org.

近期论文

查看导师新发文章 （温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

Weiner, B. E., Alexander, N., Akin, L. R., Woetzel, N., Karakas, M., Meiler, J. BCL::Fold-Protein topology determination from limited NMR restraints. Proteins. 2014, 82 (4): 587-95. Gregory, K. J., Nguyen, E. D., Malosh, C., Mendenhall, J. L., Zic, J. Z., Bates, B. S., Noetzel, M. J., Squire, E. F., Turner, E. M., Rook, J. M., Emmitte, K. A., Stauffer, S. R., Lindsley, C. W., Meiler, J., Conn, P. J. Identification of Specific Ligand-Receptor Interactions That Govern Binding and Cooperativity of Diverse Modulators to a Common Metabotropic Glutamate Receptor 5 Allosteric Site. ACS Chemical Neuroscience. 2014, 0 (0): [Epub ahead of print]. Alexander, N. S., Preininger, A. M., Kaya, A. I., Stein, R. A., Hamm, H. E., Meiler, J. Energetic analysis of the rhodopsin-G-protein complex links the α5 helix to GDP release. Nature Structural & Molecular Biology. 2014, 21 (1): 56-63. Leman, J. K., Mueller, R., Karakas, M., Woetzel, N., Meiler, J. Simultaneous prediction of protein secondary structure and transmembrane spans. Proteins-Structure Function and Bioinformatics. 2013, 81 (7): 1127-1140. Gregory, K. J., Nguyen, E. D., Reiff, S. D., Squire, E. F., Stauffer, S. R., Lindsley, C. W., Meiler, J., Conn, P.J. Probing the Metabotropic Glutamate Receptor 5 (mGlu(5)) Positive Allosteric Modulator (PAM) Binding Pocket: Discovery of Point Mutations That Engender a "Molecular Switch" in PAM Pharmacology. Molecular Pharmacology. 2013, 83 (5): 991-1006. Willis, J. R., Briney, B. S., DeLuca, S. L., Crowe, J. E., Meiler, J. Human Germline Antibody Gene Segments Encode Polyspecific Antibodies. PLOS Computational Biology. 2013, 9 (4): 406-414. Mueller, R., Dawson, E. S., Meiler, J., Rodriguez, A. L., Chauder, B. A., Bates, B. S., Felts, A. S., Lamb, J. P., Menon, U. N., Jadhav, S. B., Kane, A. S., Jones, C. K., Gregory, K. J., Niswender, C. M., Conn, P. J., Olsen, C. M., Winder, D. G., Emmitte, K. A., Lindsley, C. W. Discovery of 2-(2-Benzoxazoyl amino)-4-Aryl-5-Cyanopyrimidine as Negative Allosteric Modulators (NAMs) of Metabotropic Glutamate Receptor 5 (mGlu5): From an Artificial Neural Network Virtual Screen to an In Vivo Tool Compound. ChemMedChem. 2012, 7 (3): 406-414. Sliwoski, G., Lowe, E. W., Butkiewicz, M., Meiler, J. BCL::EMAS - Enantioselective Molecular Asymmetry Descriptor for 3D-QSAR. Molecules. 2012, 17 (8): 9971-9989. Mueller, R., Dawson, E. S., Niswender, C. M., Butkiewicz, M., Hopkins, C. R., Weaver, C. D., Lindsley, C. W., Conn, P. J., Meiler, J. Iterative experimental and virtual high-throughput screening identifies metabotropic glutamate receptor subtype 4 positive allosteric modulators. Journal of Molecular Modeling. 2012, 18 (9): 4437-4446. Eisenbeis, S., Proffitt, W., Coles, M., Truffault, V., Shanmugaratnam, S., Meiler, J., Hocker, B. Potential of Fragment Recombination for Rational Design of Proteins. Journal of The American Chemical Society. 2012, 134 (9): 4019-4022. Lemmon, G., Kaufmann, K., Meiler, J. Prediction of HIV-1 Protease/Inhibitor Affinity using RosettaLigand. Chemical Biology & Drug Design. 2012, 79 (6): 888-896. Lindert, S., Alexander, N., Wotzel, N., Karakas, M., Stewart, P. L., Meiler, J. EM-Fold: De Novo Atomic-Detail Protein Structure Determination from Medium-Resolution Density Maps. Structure. 2012, 20 (3): 464-478. Henry, L. K., Iwamoto, H., Field, J. R., Kaufmann, K., Dawson, E. S., Jacobs, M. T., Adams, C., Felts, B., Zdravkovic, I., Armstrong, V., Combs, S., Solis, E., Rudnick, G., Noskov, S. Y., DeFelice, L. J., Meiler, J., Blakely, R. D. A Conserved Asparagine Residue in Transmembrane Segment 1 (TM1) of Serotonin Transporter Dictates Chloride-coupled Neurotransmitter Transport. Journal of Biological Chemistry. 2011, 286 (35): 30823-30836. Koehler, J., Meiler, J. Expanding the utility of NMR restraints with paramagnetic compounds: Background and practical aspects. Progress in Nuclear Magnetic Resonance Spectroscopy. 2011, 59 (4): 360-389. DeLuca, S., Dorr, B., Meiler, J. Design of Native-like Proteins through an Exposure-Dependent Environment Potential. Biochemistry. 2011, 50 (40): 8521-8528. Fortenberry, C., Bowman, E. A., Proffitt, W., Dorr, B., Combs, S., Harp, J., Mizoue, L., Meiler, J. Exploring Symmetry as an Avenue to the Computational Design of Large Protein Domains. Journal of The American Chemical Society. 2011, 133 (45): 18026-18029. Olmsted, I. R., Xiao, Y., Cho, M., Csordas, A. T., Sheehan, J. H., Meiler, J., Soh, H. T., Bornhop, D. J. Measurement of Aptamer-Protein Interactions with Back-Scattering Interferometry. Analytical Chemistry. 2011, 83 (23): 8867-8870. Morin, A., Meiler, J., Mizoue, L. S. Computational design of protein-ligand interfaces: potential in therapeutic development. Trends in Biotechnology. 2011, 29 (4): 159-166. Van Eps, N., Preininger, A. M., Alexander, N., Kaya A. I., Meier, S., Meiler, J., Hamm, H. E., Hubbell, W. L., Lindsley, C. W., Denton, J. S. RosettaEPR: An integrated tool for protein structure determination from sparse EPR data. Journal Of Structural Biology. 2011, 173 (3): 506-514. Ganguly, S., Weiner, B. E., Meiler, J. Membrane Protein Structure Determination using Paramagnetic Tags. Structure. 2011, 19 (4): 441-443. Morin, A., Kaufmann, K. W., Fortenberry, C., Harp, J. M., Mizoue, L., S., Meiler, J. Computational design of an endo-1,4-beta-xylanase ligand binding site. Protein Engineering Design & Selection. 2011, 24 (6): 503-516. Van Eps, N., Preininger, A. M., Alexander, N., Kaya A. I., Meier, S., Meiler, J., Hamm, H. E., Hubbell, W. L., Lindsley, C. W., Denton, J. S. Interaction of a G protein with an activated receptor opens the interdomain interface in the alpha subunit. Proceedings of The National Academy of Sciences of the United States of America. 2011, 108 (23): 9420-9424. Bhave, G., Chauder, B. A., Liu, W., Dawson E. S., Kadakia, R., Nguyen, T. T., Lewis, L. M., Meiler, J., Weaver, C. D., Satlin, L. M., Lindsley, C. W., Denton, J. S. Development of a Selective Small-Molecule Inhibitor of Kir1.1, the Renal Outer Medullary Potassium Channel. Molecular Pharmacology. 2011, 79 (1): 42-50. Gregory, K. J., Dong, E. N., Meiler, J., Conn, P. J. Allosteric modulation of metabotropic glutamate receptors: Structural insights and therapeutic potential. Neuropharmacology. 2011, 60 (1): 66-81.