Braun Research Lab

Complete List of Braun Group Publications

click on the lines with a green ball () for abstracts or full papers

(131) Rana, T., Hasan, R.J., Nowicki, S., Venkatarajan, M.S., Singh, R., Urvil, P.T., Popov, V., Braun, W., Popik, W., Goodwin, J.S. and Nowicki, B.J. (2013)

Complement Protective Epitopes and CD55-Microtubule Complexes Facilitate the Invasion and Intracellular Persistence of Uropathogenic Escherichia coli.
J. Infec. Dis., (in press).

(130) Power, T.D, Ivanciuc, O., Schein, C.H. and Braun, W. (2013)

Assessment of 3D models for allergen research.
PROTEINS: Struct. Funct. and Bioinf., 81(4), 545-554.

(129) Navaratnarajah, C.K., Negi, S.S., Braun, W. and Cattaneo, R. (2012)

Membrane fusion triggering: three modules with different structure and function in the upper half of the measles virus attachment protein stalk.
J. Biol. Chem., 287(46), 38543-38551.

(128) Apte-Sengupta, S., Negi, S.S., Leonard, V.H.J., Oezguen, N., Navaratnarajah, C.K., W. Braun, W. and Cattaneo, R. (2012)

Base of the measles virus fusion trimer head receives the signal that triggers membrane fusion.
J. Biol. Chem., 287(39), 33026-33035.

(127) Oezguen, N., Power, T.D., Urvil, P., Feng, H., Pothoulakis, C., Stamler, J.S., Braun, W. and Savidge, T.C. (2012)

Clostridial toxins: Sensing a target in a hostile gut environment.
Gut Microbes, 3(1), 35-41.

(126) Lu, W., Negi, S.S., Oberhauser, A.F. and Braun, W. (2012)

Engineering proteins with enhanced mechanical stability by force-specific sequence motifs.
Proteins, 80(5), 1308-1315.

(125) Tiwari, R., Negi, S.S., Braun, B., Braun, W., Pomes, A., Chapman, M.D., Goldblum, R.M. and Midoro-Horiuti, T. (2012)

Validation of a Phage Display and Computational Algorithm by Mapping a Conformational Epitope of Bla g 2.
Int. Arch. Allergy Immunol., 157(4), 323-330.

(124) Oezguen, N., Mantha, A.K., Izumi, T., Schein, C.H., Mitra, S. and Braun, W. (2011)

MD simulation and experimental evidence for Mg2+ binding at the b site in human AP endonuclease 1.
Bioinformation, 7(4), 184-198.

(123) Savidge, T.C., Urvil, P., Oezguen, N., Ali, K., Choudhury, A., Acharya, V., Pinchuk, I., Torres, A.G., English, R.D., Wiktorowicz, J.E., Loeffelholz, M., Kumar, R., Shi, L., Nie, W., Braun, W., Herman, B., Hausladen, A., Feng, H., Stamler, J.S. and Pothoulakis, C. (2011)

Host S-nitrosylation inhibits clostridial small molecule-activated glucosylating toxins.
Nat. Med., 17(9), 1136-1142.

(122) Ivanciuc, O., Gendel, S.M., Power, T.D., Schein, C.H. and Braun, W. (2011)

AllerML: Markup Language for Allergens.
Regul. Toxicol. Pharmacol., 60(1), 151-160.

(121) Navaratnarajah, C.K., Oezguen, N., Rupp, L., Kay, L., Leonard, V.H.J., Braun, W. and Cattaneo, R. (2011)

The heads of the measles virus attachment protein move to transmit the fusion-triggering signal.
Nat. Struct. Mol. Biol., 18(2), 128-134.

(120) Schein, C.H., Ivanciuc, O., Midoro-Horiuti, T., Goldblum, R.M. and Braun, W. (2010)

An allergen portrait gallery: representative structures and an overview of IgE binding surfaces.
Bioinform. Biol. Insights, 4, 113-125.

(119) Schein, C.H., Oezguen, N., van der Heden van Noort, G.J., Filippov, D.V., Paul, A., Kumar, E. and Braun, W. (2010)

NMR solution structure of poliovirus uridylyated peptide linked to the genome (VPgpU).
Peptides, 31(8), 1441-1448.

(118) Negi, S.S. and Braun, W. (2009)

Automated Detection of Conformational Epitopes using Phage Display Peptide Sequences.
Bioinform. Biol. Insights, 3, 71-81.

(117) Ivanciuc, O., Schein, C.H., Garcia, T.I., Oezguen, N., Negi, S.S. and Braun, W. (2009)

Structural analysis of linear and conformational epitopes of allergens.
Regul. Toxicol. Pharmacol., 54(3 Suppl), S11-S19.

(116) Garcia, T.I., Oberhauser, A.F. and Braun, W. (2009)

Mechanical stability and differentially conserved physical-chemical properties of Titin Ig-domains.
PROTEINS: Struct. Funct. and Bioinf., 75(3), 706-718.

(115) Ivanciuc, O., Midoro-Horiuti, T., Schein, C.H., Xie, L., Hillman, G.R., Goldblum, R.M. and Braun, W. (2009)

The property index PD predicts peptides that cross-react with IgE antibodies.
Mol. Immunol., 46(5), 873-883.

(114) Ivanciuc, O., Garcia, T.I., Torres, M., Schein, C.H. and Braun, W. (2009)

Characteristic Motifs for Families of Allergenic Proteins.
Mol. Immunol., 46(4), 559-568.

(113) Oezguen, N., Zhou, B., Negi, S.S., Ivanciuc, O., Schein, C.H., Labesse, G. and Braun, W. (2008)

Comprehensive 3D-modeling of allergenic proteins and amino acid composition of potential conformational IgE.
Mol. Immunol., 45(14), 3740-3747.

(112) Oezguen, N., Kumar, S., Hindupur, A., Braun, W., Muralidhara, B.K. and Halpert, J.R. (2008)

Identification and analysis of conserved motifs in cytochrome P450 family 2: Functional and structural role of a Motif 187RFDYKD192 in CYP2B enzymes.
J. Biol. Chem., 283(31), 21808-21816.

(111) Leonard, V.H.J., Sinn, P.L., Hodge, G., Miest, T., Devaux, P., Oezguen, N., Braun, W., McCray, P.B. Jr., McChesney, M.B. and Cattaneo, R. (2008)

Measles virus blind to its epithelial cell receptor remains virulent in rhesus monkeys but cannot cross the airway epithelium and is not shed.
J. Clin. Invest., 118(7), 2448-2458.

(110) Mantha, A.K., Oezguen, N., Bhakat, K.K., Izumi, T., Braun, W. and Mitra, S. (2008)

Unusual Role of a Cysteine Residue in Substrate Binding and Activity of Human AP-Endonuclease 1.
J. Mol. Biol., 379(1), 28-37.

(109) Navaratnarajah, C.K., Vongpunsawad, S., Oezguen, N., Stehle, T., Braun, W., Hashiguchi, T., Maenaka, K., Yanagi, Y. and Cattaneo, R. (2008)

Dynamic interaction of the measles virus hemagglutinin with its receptor SLAM.
J. Biol. Chem., 283(17), 11763-11771.

(108) Negi, S.S., Carol, A., Pandya, S., Braun, W. and Anderson, L. (2008)

Co-Localization of Glyceraldehyde-3-Phosphate Dehydrogenase with Ferredoxin-NADP Reductase in Pea Leaf Chloroplasts.
J. Struct. Biol., 161(1), 18-30.

(107) Ivanciuc, O. and Braun, W. (2007)

Robust quantitative modeling of peptide binding affinities for MHC molecules using physical-chemical descriptors.
Protein Pept. Lett., 14(9), 903-916.

(106) Negi, S., Schein, C.H., Oezguen, N., Power, T.D. and Braun, W. (2007)

InterProSurf: a web server for predicting interacting sites on protein surfaces.
Bioinformatics, 23(24), 3397-3399.

(105) Negi, S. and Braun, W. (2007)

Statistical analysis of physical-chemical properties and prediction of protein-protein interfaces.
J. Mol. Model., 13(11), 1157-1167.

(104) Oezguen, N., Schein, C.H., Peddi, S.R., Power, T.D., Izumi, T. and Braun, W. (2007)

A "moving metal mechanism" for substrate cleavage by DNA repair endonuclease APE-1.
Proteins, 68(1), 313-323.

(103) Schein, C.H. Ivanciuc O. and Braun, W. (2007)

Bioinformatics Approaches to Classifying Allergens and Predicting Cross-reactivity.
Immunol. Allergy Clin. North Am., 27(1), 1-27.

(102) Schein, C.H., Ivanciuc, O. and Braun, W. (2006)

Structural Database of Allergenic Proteins (SDAP).
Food Allergy, Edited by S.J. Maleki, copyright 2006 ASM Press, Washington D.C. 257-283.

(101) Negi, S.S., Kolokoltsov, A.A., Schein, C.H., Davey, R.A. and Braun, W. (2006)

Determining functionally important amino acid residues of the E1 protein of Venezuelan equine encephalitis virus.
J. Mol. Model. (Online), 12(6), 921-929.

(100) Schein, C.H., Oezguen, N., Volk, D.E., Garimella, R., Paul, A. and Braun, W. (2006)

NMR structure of the viral peptide linked to the genome (VPg) of poliovirus.
Peptides, 27(7), 1676-1684.

(99) Muralidhara, B.K., Negi., S., Chin, C.C., Braun, W. and Halpert. J.R. (2006)

Conformational flexibility of mammalian cytochrome P450 2B4 in binding imidazole inhibitors with different ring chemistry and side chains.
J. Biol. Chem. 281(12), 8051-8061.

(98) Midoro-Horiuti, T., Schein, C.H., Mathura, V., Braun, W., Czerwinski, E.W., Togawa, A., Kondo, Y., Oka, T., Watanabe, M. and Goldblum, R.M. (2006)

Structural basis for epitope sharing between group 1 allergens of cedar pollen.
Mol. Immunol., 43(6), 509-518.

(97) Schein, C.H., Ivanciuc, O. and Braun, W. (2005)

Common physical-chemical properties correlate with similar structure of the IgE epitopes of peanut allergens.
J. Agric. Food Chem., 53(22), 8752-8759.

(96) Schein, C.H., Zhou, B. and Braun, W. (2005)

Stereophysicochemical variability plots highlight conserved antigenic areas in Flaviviruses.
Virol. J., 2(1):40.

(95) von Messling, V., Oezguen, N., Zheng, Q., Vongpunsawad, S., Braun, W. and Cattaneo. R. (2005)

Nearby clusters of hemagglutinin residues sustain SLAM-dependent canine distemper virus entry in peripheral blood mononuclear cells.
J. Virol., 79, 5857-5862.

(94) Cummins, S.F., Schein, C.H., Xu, Y., Braun, W. and Nagle, G.T. (2005)

Molluscan attractins, a family of water-borne protein pheromones with interspecific attractiveness.
Peptides, 26, 121-129.

(93) Schein, C.H., Zhou, B., Oezguen, N., Mathura, V.S., and Braun, W. (2005)

Molego-based definition of the architecture and specificity of metal binding sites.
Proteins, 58, 200-210.

(92) Painter, S.D., Cummins, S.F., Nichols, A.E., Akalal, D.B.G., Schein, C.H., Braun, W., Smith, J.S., Susswein, A.J., Levy, M., de Boer, P.A.C.M., ter Maat, A., Miller, M.W., Scanlan, C., Milberg, R.M., Sweedler, J.V. and Nagle, G.T. (2004)

Structural and functional analysis of Aplysa attractins, a family of water-borne protein phermones with interspecific attractiveness.
Proc. Natl. Acad. Sci. USA, 101, 6929-6933.

(91) Ivanciuc, O., Oezguen, N., Mathura, V.S., Schein, C.H., Xu, Y. and Braun, W. (2004)

Using property based sequence motifs and 3D modeling to determine structure and functional regions of proteins.
Curr. Med. Chem., 11, 583-593.

(90) Izumi, T., Schein, C.H., Oezguen, N., Feng, Y. and Braun, W. (2004)

Effects of backbone contacts 3' to the abasic site on the cleavage and the product binding by human apurinic/apyrimidinic endonuclease (APE1).
Biochemistry, 43, 684-689.

(89) Vongpunsawad, S., Oezgun, N., Braun, W. and Cattaneo R. (2004)

Selectively receptor-blind measles viruses: identification of residues necessary for SLAM- or CD46-induced fusion and their localization on a new hemagglutinin structural model.
J. Virol., 78, 302-313.

(88) Braun, W. (2003)

Developing computational tools for NMR: the early days of protein NMR.
Magn. Reson. Chem., 41, S51-S55.

(87) Midoro-Horiuti, T., Mathura, V., Schein, C.H., Braun, W., Yu, S., Watanabe, M., Lee, J.C., Brooks, E.G. and Goldblum, R. (2003)

Major linear IgE epitopes of mountain cedar pollen allergen Jun a 1 map to the pectate lyase catalytic site.
Mol. Immunol., 40, 555-562.

(86) Mathura, V.S., Soman, K.V., Varma, T.K. and Braun, W. (2003)

A multimeric model for murine anti-apoptotic protein Bcl-2 and structural insights for its regulation by post-translational modification.
J. Mol. Model., 9, 298-303.

(85) Ivanciuc, O., Mathura, V., Midoro-Horiuti, T., Braun, W., Goldblum, R. and Schein, C.H. (2003)

Detecting potential IgE-reactive sites on food proteins using a sequence and structure database, SDAP-Food.
J. Agr. Food Chem., 51, 4830-4837.

(84) Garimella, R., Xu, Y., Schein, C.H., Rajarathnam, K., Painter, S.D., Nagle, G.T. and Braun, W. (2003)

NMR solution structure of attractin, a water-borne protein pheromone from the mollusk Aplysia californica.
Biochemistry, 42, 9970-9979.

(83) Mathura, V.S., Schein, C.H. and Braun, W. (2003)

Identifying property based sequence motifs in protein families and superfamilies: application to DNase-1 related endonucleases.
Bioinformatics, 19, 1381-1390.

(82) Ivanciuc, O., Schein, C.H. and Braun, W. (2003)

SDAP: database and computational tools for allergenic proteins.
Nucleic Acids Res., 31, 359-362.

(81) Schein, C.H., Ozgun, N., Izumi, T. and Braun, W. (2002)

Total sequence decomposition distinguishes functional modules, "molegos" in apurinic/apyrimidinic endonucleases.
BMC Bioinformatics, 3:37.

(80) Ivanciuc, O.I., Schein, C.H. and Braun, W. (2002)

Data mining of sequences and 3D structures of allergenic proteins.
Bioinformatics, 18, 1358-1364.

(79) Murtazina, D., Puchkaev, A.V., Schein, C.H., Oezguen, N., Braun, W., Nanavati, A. and Pikuleva, I.A. (2002)

Membrane-protein interactions contribute to efficient 27-hydroxylation of cholesterol by mitochondrial cytochrome P450 27A1.
J. Biol. Chem., 277, 37582-37589.

(78) Hasan, R.J., Pawelczyk, E., Urvil, P.T., Venkatarajan, M.S., Goluszko, P., Kur, J., Selvarangan, R., Nowicki, S., Braun, W.A. and Nowicki, B.J. (2002)

Structure-function analysis of decay-accelerating factor: identification of residues important for binding of the escherichia coli Dr adhesin and complement regulation.
Infect. Immun., 70, 4485-4493.

(77) Oezguen, N., Adamian, L., Xu, Y., Rajarathnam, K. and Braun, W. (2002)

Automated assignment and 3D structure calculations using combinations of 2D homonuclear and 3D heteronuclear NOESY spectra.
J. Biomol. NMR, 22, 249-263.

(76) Venkatarajan, M.S. and Braun, W. (2001)

New quantitative descriptors of amino acids based on multidimensional scaling of a large number of physical-chemical properties.
J. Mol. Model., 7, 445-453.

(75) Soman, K.V., Schein, C.H., Zhu, H. and Braun, W. (2001)

Homology modeling and simulations of nuclease structures.
Methods Mol. Biol., 160, 263-286.

(74) Williams RM, Obradovi Z, Mathura V, Braun W, Garner EC, Young J, Takayama S, Brown CJ, Dunker AK. (2001)

The protein non-folding problem: amino acid determinants of intrinsic order and disorder.
Pac. Symp. Biocomput., 89-100.

(73) Soman, K. V. and W.Braun (2001).

Determining the 3-D fold of a protein from approximate constraints: a simulation study.
Cell Biochem. Biophys., 34, 283-304.

(72) Schein, C.H., Nagle, G.T., Page, J. Sweedler, J.V., Xu, Y., Painter, S.D. and Braun, W. (2001)

Aplysia attractin: biophysical characterization and modeling of a water-borne pheromone.
Biophys. J., 81, 463-472.

(71) Xu, Y., Jablonsky, M. J., Jackson, P. L., Braun, W. and Krishna, N. R. (2001)

Automatic assignment of NOESY cross peaks and determination of the protein structure of a New World scorpion neurotoxin using NOAH/DIAMOD.
J. Magn. Reson., 148, 35-46.

(70) Soman, K.V., Schein, C.H., Zhu, H. and Braun, W. (2001)

Homology modeling and simulations of nuclease structures.
In Nuclease Methods and Protocols, Schein, C.H. (ed) for series Methods in Molecular Biology
Vol. 160, 2001, Humana Press, Totowa, N.J., pp. 263-286.

(69) Midoro-Horiuti, T M. Goldblum, R M. Schein, C H. Soman, K V. Braun, W. Kurosky, A. Brooks, E G. (2000)

Structural Analysis of Jun a 3, a Potentially Inducible Allergen of Mountain Cedar Pollen.
J. Allergy Clin. Immun., 105 (1): 965 Part 2 Suppl. S.

(68) Zhu, H., Schein, C., and W.Braun (2000).

MASIA: recognition of common patterns and properties in multiple aligned protein sequences.
Bioinformatics, 16, 950-951.

(67) Soman, K.V., Midoro-Horiuti, T., Ferreon, J.C., Goldblum, R.M., Brooks, E.G., Kurosky,
A., Braun, W. and Schein, C.H. (2000).

Homology modeling and characterization of Ig E binding epitopes of mountain cedar allergen Jun a 3.
Biophys. J., 79, 1601-1609.

(66) Zhu, H., Schein, C.H. and Braun, W. (1999)

Homology modeling and molecular dynamics simulations of PBCV-1 glycosylase complexed with UV-damaged DNA .
J. Mol. Model, 5, 302-316.

(65) Xu, Y., Wu, J., Gorenstein, D. and Braun, W. (1999)

Automated 2D NOESY assignment and structure calculation of crambin(S22/I25) with the self-correcting distance geometry based NOAH/DIAMOD programs.
J. Magn. Reson., 136, 76-85.

(64) Xu, Y., Schein, Ch. and Braun, W. (1999)

Combined automated assignment of NOESY spectra and three-dimensional structure calculation of proteins.
Biological Magnetic Resonance Vol. 17, pp 37-79
(L.J. Berliner & N. Rama Krishna, eds) Kluwer Academic/Plenum Publishing Corporation, New York, NY.

(63) Zhu, H. and Braun, W. (1999)

Sequence specificity, statistical potentials and 3D structure prediction with self-correcting distance geometry calculations of beta-sheet formation in proteins.
Protein Science, 8, 326-342.

(62) Friesen, R.H.E., Castellani, R.J., Lee, J.C. and Braun, W. (1998)

Allostery in rabbit pyruvate kinase: development of a strategy to elucidate the mechanism.
Biochemistry, 37, 15266-15276.

(61) Fraczkiewicz, R. and Braun, W. (1998)

Exact and efficient analytical calculation of the accessible surface areas and their gradients for macromolecules.
J. Comp. Chem., 19, 319-333.

(60) Buchholz, C.J., Koller, D., Devaux, P., Mumenthaler, Ch., Schneider-Schaulis, J., Braun, W., Gerlier, D., and Cattaneo, R. (1997)

Mapping of the primary binding site of measles virus to its receptor CD46.
J. Biol. Chem., 272, 22072-22079.

(59) Mumenthaler, Ch., Güntert, P., Braun, W. and Wüthrich, K. (1997)

Automated combined assignment of NOESY spectra and three-dimensional protein structure determination.
J. Biomol. NMR, 10, 351-362.

(58) Mumenthaler, Ch., Schneider, U., Buchholz, Ch. J., Koller, D., Braun, W. and Cattaneo, R. (1997 )

A 3D model for the measles virus receptor CD46 based on homology modeling, Monte Carlo simulations and hemagglutinin binding studies.
Protein Sci., 6, 588-597.

(57) Braun, W. (1997)

In "Computer Simulations of Biomolecular Systems"
Vol.3. Chapter "Incorporation of Solvation Energy Contributions for energy refinement
and folding of proteins". pp. 270-283. (W. F. van Gunsteren, P. K. Weiner
and A.J. Wilkinson Eds) KLUWER/ESCOM, Dordrecht, The Netherlands.

(56) Mumenthaler, Ch. and Braun, W. (1995)

Automated assignment of simulated and experimental NOESY spectra of proteins by feedback filtering and self-correcting distance geometry.
J. Mol. Biol., 254, 465-480.

(55) Mumenthaler, Ch. and Braun, W. (1995)

Folding of globular proteins by energy minimization and Monte Carlo simulations with hydrophobic surface area potentials.
J. Mol. Modeling, 1, 1-10.

(54) Mumenthaler, Ch. and Braun, W. (1995)

Predicting the helix packing of globular proteins by self-correcting distance geometry.
Protein Science, 4, 863-871.

(53) Braun, W., Kallen, J., Mikol, V., Walkinshaw, M.D. and Wüthrich, K. (1995)

Three dimensional structure and action of immunosuppressants and their immunophilins.
FASEB Journal, 9, 63-72.

(52) Braun, W. and Mumenthaler, Ch. (1994)
Predicting three-dimensional protein structures by distance geometry and Monte
Carlo simulations: What can we expect from parallel computers?
Proceedings 6th Joint EPS-APS International Conference on Physics Computing, Lugano, CH, Aug.22-Aug.26, 1994.

(51) Altschuh, D., Braun, W., Kallen, J., Mikol, V., Spitzfaden, C., Thierry, J.C., Vix, O., Walkinshaw, M.D. and Wüthrich, K. (1994)

Conformational polymorphism of cyclosporin A.
Structure, 2, 963-972.

(50) Spitzfaden, C., Braun, W., Wider, G., Widmer, H. and Wüthrich, K. (1994)

Determination of the NMR solution structure of the Cyclophilin-Cyclosporin A complex.
J. Biomol. NMR, 4, 463-482.

(49) Hänggi, G. and Braun, W. (1994)

Pattern recognition and self-correcting distance geometry calculations applied to myohemerythrin.
FEBS Letters, 344, 147-153.

(48) von Freyberg, B., Richmond, T.J. and Braun, W. (1993)

Surface area included in energy refinement of proteins: A comparative study on atomic solvation parameters.
J. Mol. Biol., 233, 275-292.

(47) Widmer, H., Widmer, A. and Braun, W. (1993)

Extensive distance geometry calculations with different NOE calibrations. New criteria for structure selection applied to Sandostatin and BPTI.
J. Biomol. NMR, 3, 307-324.

(46) von Freyberg, B. and Braun, W. (1993)

Minimization of empirical energy functions in proteins including hydrophobic surface area effects.
J. Comp. Chem., 14, 510-521.

(45) Braun, W., Vasak, M., Robbins, A.H., Stout, C.D., Wagner, G., Kägi, J.H.R. and Wüthrich, K. (1992)

Comparison of the NMR solution structure and the X-ray crystal structure of rat metallothionein-2.
Proc. Natl. Acad. Sci, USA 89, 10124-10128.

(44) Spitzfaden, C., Weber, H.P., Braun, W., Kallen, J., Wider,G. Widmer, H., Walkinshaw, M.D. and Wüthrich, K. (1992)

Cyclosporin A - cyclophilin complex: a model based on X-ray and NMR data.
FEBS Letters, 300, 291-300.

(43) Wüthrich, K., von Freyberg, B., Weber, C., Wider G., Traber R., Widmer, H. and Braun, W. (1991)

Receptor-Induced Conformation Change of the Immuno-suppressant Cyclosporin- A.
Science, 254, (5034), 953-954.

(42) Mertz, J.E., Güntert, P., Wüthrich, K. and Braun, W. (1991)

Complete relaxation matrix refinement of NMR structures of proteins using analytically calculated dihedral angle derivatives of NOE intensities.
J. Biomol. NMR, 1, 257-269.

(41) Braun, W. (1991)
Distance Geometry in distance and torsion angle space. Flexibility, convergence and sampling properties
Proc. IUPAB Satellite Meeting in Whistler, Canada: "Expanding Frontiers in Polypeptide and Protein Structural
Research" (V. Renugopalakrishnan, P.R. Carey, S.G. Huang, A. Storer and I.C.P. Smith ed) Escom, Leiden.

(40) Weber, Ch., Wider, G., von Freyberg, B., Traber, R., Braun, W., Widmer, H. & Wüthrich, K. (1991)

The NMR structure of cyclosporin A bound to cyclophilin in aqueous solution.
Biochemistry, 30, 6563-6574.

(39) von Freyberg, B. & Braun, W. (1991)

Efficient search for all low energy conformations of polypeptides by Monte Carlo methods.
J. Comp. Chem., 12, 1065-1076.

(38) Braun, W. (1991)
Distance Geometry in torsion angle space: New developments and applications. In Computational aspects of the study of biological macromolecules by NMR Proc.
NATO Workshop at Il Ciocco (Hoch J. ed), pp. 199-208, Plenum Press, New York.

(37) Darbon, H., Weber, Ch. & Braun, W. (1991)

Two-dimensional 1H nuclear magnetic resonance study of AaH IT, an anti-insect toxin from the scorpion Androctonus australis Hector. Sequential resonance assignments and folding of the polypeptide chain.
Biochemistry, 30, 1836-1845.

(36) Güntert, P., Braun, W. & Wüthrich, K. (1991)

Efficient computation of three dimensional protein structures in solution from NMR data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSA.
J. Mol. Biol., 217, 517-530.

(35) Senn, H., Loosli, H.R., Sanner, M. & Braun, W. (1990)

Conformational studies of cyclic peptide structures in solution from 1H-NMR data by distance geometry calculation and restrained energy minimization.
Biopolymers, 29, 1387-1400.

(34) Billeter, M., Schaumann, Th., Braun, W., & Wüthrich, K. (1990)

Restrained energy refinement with two different algorithms and force fields of the structure of a-amylase inhibitor Tendamistat determined by NMR in solution.
Biopolymers, 29, 695-706.

(33) Schaumann, Th., Braun, W. & Wüthrich, K. (1990)

A program, FANTOM, for energy refinement of Polypeptides and Proteins using a Newton-Raphson Minimizer in the torsion angle space.
Biopolymers, 29, 679-694.

(32) Kobayashi, Y., Ohkubo, T., Kyogoku, Y., Nishiuchi, Y., Sakakibara, S., Braun, W. & Go, N. (1989)

Solution conformation of conotoxin GI determined by 1H nuclear magnetic resonance spectroscopy and distance geometry calculations.
Biochemistry, 28, 4853-4861.

(31) Sanner, M., Widmer, A., Senn, H. & Braun, W. (1989)

GEOM, a new tool for molecular modelling based on distance geometry calculations with NMR data.
J. Comp. Aided Molecular Design, 3, 195-210.

(30) Billeter, M., Kline, A.D., Braun, W., Huber, R. & Wüthrich, K. (1989)

Comparison of the high-resolution structures of the a-amylase inhibitor Tendamistat determined by NMR in solution and by X-ray diffraction in single crystals.
J. Mol. Biol., 206, 677-687.

(29) Braun, W., Epp, O., Wüthrich, K. & Huber, R. (1989)

Solution of the Phase Problem in the X-ray Diffraction Method with the NMR structure as initial model: Patterson search and refinement of the a-Amylase Inhibitor Tendamistat.
J. Mol. Biol., 206, 669-676.

(28) Güntert, P., Braun, W., Billeter, M. & Wüthrich, K. (1989)

Automated stereospecific 1H- NMR assignments and their impact on the precision of protein structure determination in solution.
J. Amer. Chem. Soc., 111, 3997-4004.

(27) Kline, A.D., Braun, W. & Wüthrich, K. (1988)

Determination of the Complete Three- Dimensional Structure of the a-Amylase Inhibitor Tendamistat in Aqueous Solution by Nuclear Magnetic Resonance and Distance Geometry.
J. Mol. Biol., 204, 675-724.

(26) Schultze, P., Wörgötter, E., Braun, W., Wagner, G., Vasak, M., Kägi, J.H.R. & Wüthrich, K. (1988)

The Conformation of [Cd7]-metallothionein-2 from rat liver in aqueous solution determined by nuclear magnetic resonance.
J. Mol. Biol., 203, 251-268.

(25) Steinmetz, W.E., Bougis, P., Rochat, H., Redwine, O.D., Braun, W. & Wüthrich K. (1988)

1H Nuclear magnetic resonance studies of the three-dimensional structure of the cardiotoxin CTXIIb from Naja Mossambica in aqueous solution and comparison with the crystal structures of homologous toxins.
Eur. J. Biochem., 172, 101-116.

(24) Arseniev, A., Schultze, P., Wörgötter, E., Braun, W., Wagner, G., Vasak, M., Kägi, J.H.R. & Wüthrich, K. (1988)

Three-dimensional structure of rabbit liver [Cd7]-metallothionein-2a in aqueous solution determined by nuclear magnetic resonance.
J. Mol. Biol., 201, 637-657.

(23) Wagner, G., Frey, M.H., Neuhaus, D., Worgotter, E., Braun, W., Vasak, M., Kagi, J.H., Wuthrich, K. (1987)

Spatial Structure of Rabbit Liver Metallothionein-2 in Solution by NMR.
Experientia Suppl., 52, 149-157.

(22) Braun, W. (1987)
Calculation of Protein Structures from NMR Data.
In Lecture Notes in Physics 284 (Baeriswyl, D., Droz, M., Malaspinas, A. & Martinoli, P., eds) pp. 32-50, Springer Verlag, New York.

(21) Braun, W. (1987)

Distance Geometry and related methods for protein structure determination from NMR data.
Quart. Rev. Biophysics ,19, 115-157.

(20) Wagner, G., Braun, W., Havel, T.F., Schaumann, T., Go, N. & Wüthrich, K. (1987)

Protein structures in solution by nuclear magnetic resonance and distance geometry: the polypeptide fold of the basic pancreatic trypsin inhibitor determined using two different algorithms, DISGEO and DISMAN.
J. Mol. Biol., 196, 611-641.

(19) Braun, W. (1987)

Local deformation studies of chain molecules. Differential conditions for changes of dihedral angles.
Biopolymers, 26, 1691-1704.

(18) Kline, A.D., Braun, W. & Wüthrich, K. (1986)

Studies by 1H nuclear magnetic resonance and distance geometry of the solution
conformation of the a-amylase inhibitor Tendamistat.
J. Mol. Biol., 189, 377-382.

(17) Braun, W., Wagner, G., Wörgötter, E., Vasak, M., Kägi, J.H.R. & Wüthrich, K. (1986)

Polypeptide fold in the two metal clusters of Metallothionein-2 by nuclear magnetic resonance and distance geometry.
J. Mol. Biol., 187,125-129.

(16) Ohkubo, T., Kobayashi, Y., Shimonishi, Y., Kyogoku, Y., Braun, W. & Go, N. (1986)

A Conformational Study of Polypeptides in Solution by 1H-NMR and Distance Geometry.
Biopolymers, 25 (S), 123-134.

(15) Kobayashi, Y., Ohkubo, T., Kyogoku, Y., Nishiuchi, Y., Sakakibara, S., Braun, W. & Go, N. (1986)

Conformational analysis of conotoxin GI determined by distance geometry.
Peptide Chemistry, 1986 (Miyazawa T. ed.) 127-130.

(14) Wagner, G., Frey, M.H., Neuhaus, D., Wörgötter, E., Braun, W., Vasak, M., Kägi, J.H.R. & Wüthrich, K. (1985)
In Proc. Second International Meeting on Metallothionein and Other Low Molecular Weight Metal-binding Proteins.
(Zürich, 1985; Kägi J.H.R. & Kojima Y. ed.) Birkhäuser Verlag, Basel.

(13) Braun, W. & Go, N. (1985)

Calculation of protein conformations by proton-proton distance constraints. A new efficient algorithm.
J. Mol. Biol., 186, 611-626.

(12) Wüthrich, K., Billeter, M. & Braun, W. (1984)

Polypeptide secondary structure determination by nuclear magnetic resonance observation of short proton-proton distances.
J. Mol. Biol., 180, 715-740.

(11) Braun, W., Yoshioki, S. & Go, N. (1984)

Formulation of static and dynamic conformational energy analysis of biopolymer systems consisting of two or more molecules.
J. Phys. Soc. Japan, 53, 3269-3275.

(10) Abe, H., Braun, W., Noguti, T. & Go, N. (1984)

Rapid calculation of first and second derivatives of conformational energy with respect to
dihedral angles for proteins. General recurrent equations.
Computers & Chemistry, 8, 239-247.

(9) Wüthrich, K., Billeter, M. & Braun, W. (1983)

Pseudo-structures for the 20 common amino acids for use in studies of protein conformations by measurements of intramolecular proton- proton distance constraints with nuclear magnetic resonance.
J. Mol. Biol., 169, 949-961.

(8) Braun, W., Wider, G., Lee, K.H. & Wüthrich, K. (1983)

Conformation of glucagon in a lipid-water interphase by 1H nuclear magnetic resonance.
J. Mol. Biol., 169, 921-948.