References
- Amadei, A., Linssen, A.B.M., de Groot, B.L., van Aalten, D.M., & Berendsen, H.J.C. (1996) An efficient method for sampling the essential subspace of proteins. Journal of Biomolecular Structure & Dynamics, 13, 615–625.
- Amadei, A., Linssen, A.B.M., & Berendsen, H.J.C. (1993). Essential dynamics of proteins. Proteins, 17, 412–425.
- Berendsen , H.J.C. , Postma , J.P.M. , van Gunsteren , W.F. , Dinola , A. and Haak , J.R. 1984 . Molecular dynamics with coupling to an external bath . The Journal of Chemical Physics , 81 : 3684 – 3690 .
- Berendsen , H.J.C. , van der Spoel , D. and van Drunen , R. 1995 . GROMACS: A message-passing parallel molecular dynamics implementation . Computer Physics Communications , 91 : 43 – 56 .
- Caves , L.S. , Evanseck , J.D. and Karplus , M. 1998 . Locally accessible conformations of proteins: Multiple molecular dynamics simulations of crambin . Protein Science , 7 : 649 – 666 .
- Cornell, W.D., Cieplak, P., Bayly, C.I., Gould, I.R., Merz, K.M., Ferguson, D.M., Spellmeyer, D.C., … Kollman, P.A. (1995). A second generation force field for the simulation of proteins, nucleic acids, and organic molecules. Journal of the American Chemical Society, 117, 5179–5197.
- Damberger, F.F., Ishida, Y., Leal, W.S., & Wüthrich, K. (2007). Structural basis of ligand binding and release in insect pheromone-binding proteins: NMR structure of Antheraea polyphemus PBP1 at pH 4.5. Journal of Molecular Biology, 373, 811–819.
- Darden, Tom, York, Darrin, Pedersen, Lee. (1993). Particle mesh Ewald: An N-log(N) method for Ewald sums in large systems. The Journal of Chemical Physics, 98, 10089–10092.
- de Groot, B.L., Amadei, A., van Aalten, D.M.F., & Berendsen, H. (1996). Toward an exhaustive sampling of the configurational spaces of the two forms of the peptide hormone guanylin. Journal of Biomolecular Structure & Dynamics 13, 741–751.
- de Groot, B.L., Amadei, A., Scheek, R.M., van Nuland, N.A., & Berendsen, H.J.C. (1996). An extended sampling of the configurational space of HPr from E. Coli. Proteins: Structure, Function and Genetics, 26, 314–322.
- Essmann , Ulrich , Perera , Lalith , Berkowitz , Max L. , Darden , Tom , Lee , Hsing and Pedersen , Lee G. 1995 . A smooth particle mesh Ewald method . The Journal of Chemical Physics , 103 : 8577 – 8593 .
- Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., … Pople J.A. (2004). Gaussian 03, Revision C.02. Wallingford, CT: Gaussian, Inc.
- Hess , B. , Bekker , H. , Berendsen , H. and Fraaije , J. 1997 . LINCS: A linear constraint solver for molecular simulations . Journal of Computational Chemistry , 18 : 1463 – 1472 .
- Hornak, V., Abel, R., Okur, A., Strockbine, B., Roitberg, A., & Simmerling, C. (2006). Comparison of multiple Amber force fields and development of improved protein backbone parameters. Proteins: Structure, Function, and Bioinformatics. 65, 712–725.
- Horst , R. , Damberger , F. , Luginbühl , P. , Güntert , P. , Peng , G. , … and Wüthrich , K. 2001 . NMR structure reveals intramolecular regulation mechanism for pheromone binding and release . Proceedings of the National Academy of Sciences of the United States of America , 98 : 14374 – 14379 .
- Jorgensen, William L., Chandrasekhar, Jayaraman, Madura, Jeffry D., Impey, Roger W., & Klein, Michael L. (1983). Comparison of simple potential functions for simulating liquid water. The Journal of Chemical Physics, 79, 926–935.
- Karsten Suhre & Yves-Henri Sanejouand. (2004). ElNemo: A normal mode web server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610–W614.
- Laughlin , J.D. , Ha , T.S. , Jones , D.N. and Smith , D.P. 2008 . Activation of pheromone-sensitive neurons is mediated by conformational activation of pheromone-binding protein . Cell , 133 : 1255 – 1265 .
- Laurence, B.R., & Pickett, J.A. (1982). Erythro-6-acetoxy-5-hexadecanolide, the major compound of a mosquito attractant pheromone. Journal of the Chemical Society, Chemical Communications, 59–60.
- Lautenschlager , C. , Leal , W.S. and Clardy , J. 2005 . Coil-to-helix transition and ligand release of Bombyx mori pheromone-binding protein . Biochemical and Biophysical Research Communications , 335 : 1044 – 1050 .
- Leal , W.S. , Chen , A.M. , Ishida , Y. , Chiang , V.P. , Erickson , M.L. , Morgan , T.I. and Tsuruda , J.M. 2005 . Kinetics and molecular properties of pheromone binding and release . Proceedings of the National Academy of Sciences of the United States of America , 102 : 5386 – 5391 .
- Leal, W.S., Barbosa, R.M., Xu, W., Ishida, Y., Syed, Z., Latte, N., Chen, A.M., Morgan, T.I., Cornel, A.J., & Furtado, A. (2008). Reverse and conventional chemical ecology approaches for the development of oviposition attractants for Culex mosquitoes. PLoS ONE, 3, e3045.
- Lee , D. , Damberger , F.F. , Peng , G. , Horst , R. , Güntert , P. , … and Wüthrich , K. 2002 . NMR structure of the unliganded Bombyx mori pheromonebinding protein at physiological pH . FEBS Letters , 531 : 314 – 318 .
- Lindahl, E., Hess, B., & van der Spoel, D. (2001). GROMACS 3.0: A package for molecular simulation and trajectory analysis. Journal of Molecular Modeling, 7, 306–317.
- Mao , Yang , Xianzhong , Xu , Wei , Xu , Ishida , Yuko , Leal , Walter S. , Ames , James B. and Clardy , Jon . 2010 . Crystal and solution structures of an odorant-binding protein from the southern house mosquito complexed with an oviposition pheromone . Proceedings of the National Academy of Sciences of the United States of America , 107 : 19102 – 19107 .
- Mohanty , S. , Zubkov , S. and Gronenborn , A.M. 2004 . The solution NMR structure of Antheraea polyphemus PBP provides new insight into pheromone recognition by pheromone-binding proteins . Journal of Molecular Biology , 337 : 443 – 451 .
- Pelosi, P., Baldaccini, N.E., & Pisanelli, A.M. (1982). Identification of a specific olfactory receptor for 2-isobutyl-3-methoxypyrazine. Biochemical Journal, 201, 245–248.
- Sandler , B.H. , Nikonova , L. , Leal , W.S. and Clardy , J. 2000 . Sexual attraction in the silkworm moth: Structure of the pheromone-binding-protein-bombykol complex . Chemistry & Biology , 7 : 143 – 151 .
- Steinbrecht, R.A., Laue, M., & Ziegelberger, G. (1995). Immunolocalization of insect odorant-binding proteins – a comparative-study. Chemical Senses, 20, 109–110.
- Tegoni , M. , Campanacci , V. and Cambillau , C. 2004 . Structural aspects of sexual attraction and chemical communication in insects . Trends in Biochemical Science , 29 : 257 – 264 .
- van Aalten , D.M. , Amadei , A. , Linssen , A.B. , Eijsink , V.G. , Vriend , G. and Berendsen , H.J. 1995b . The essential dynamics of thermolysin: Confirmation of the hinge-bending motion and comparison of simulations in vacuum and water . Proteins: Structure, Function, and Bioinformatics , 22 : 45 – 54 .
- van Aalten , D.M. , Findlay , J.B. , Amadei , A. and Berendsen , H.J.C. 1995a . Essential dynamics of the cellular retinol-binding protein – evidence for ligand-induced conformational changes . Protein Engineering , 8 : 1129 – 1135 .
- Vogt , R.G. and Riddiford , L.M. 1981 . Pheromone binding inactivation by moth antennae . Nature , 293 : 161 – 163 .
- Wallace , A. , Laskowski , R. and Thornton , J. 1995 . LIGPLOT: A program to generate schematic diagrams of protein–ligand interactions . Protein Engineering , 8 : 127 – 134 .
- Wojtasek , H. and Leal , W.S. 1999 . Conformational change in the pheromone-binding protein from Bombyx mori induced by pH and by interaction with membranes . The Journal of Biological Chemistry , 274 : 30950 – 30956 .