B. Jaun

发表

Reversible peptide folding in solution by molecular dynamics simulation.

X. Daura, A. Mark, W. V. van Gunsteren, 1998, Journal of molecular biology.

Peptide Folding: When Simulation Meets Experiment

X. Daura, A. Mark, W. F. Gunsteren, 1999 .

The beta-peptide hairpin in solution: conformational study of a beta-hexapeptide in methanol by NMR spectroscopy and MD simulation.

X. Daura, W. V. van Gunsteren, B. Jaun, 2001, Journal of the American Chemical Society.

Molecular dynamics simulations of small peptides: can one derive conformational preferences from ROESY spectra?

W. V. van Gunsteren, B. Jaun, D. Seebach, 2003, Chemistry.

Interpreting NMR Data for β-Peptides Using Molecular Dynamics Simulations

A. Glättli, W. F. Gunsteren, B. Jaun, 2005 .

Studying the Stability of a Helical β‐Heptapeptide by Molecular Dynamics Simulations

X. Daura, W. F. Gunsteren, B. Jaun, 1997 .

A nickel hydride complex in the active site of methyl-coenzyme m reductase: implications for the catalytic cycle.

B. Jaun, R. Thauer, M. Reiher, 2008, Journal of the American Chemical Society.

Interpreting NMR data for beta-peptides using molecular dynamics simulations.

W. V. van Gunsteren, A. Glättli, B. Jaun, 2005, Journal of the American Chemical Society.

Methyl-coenzyme M reductase from methanogenic archaea: isotope effects on the formation and anaerobic oxidation of methane.

B. Jaun, R. Thauer, Meike Goenrich, 2013, Journal of the American Chemical Society.

Reaction of Fe3(CO)12 with octreotide--chemical, electrochemical and biological investigations.

M. Ebert, D. Hoyer, B. Jaun, 2010, Dalton transactions.

The fourth helical secondary structure of β-peptides: The (P)-28-helix of a β-hexapeptide consisting of (2R,3S)-3-amino-2-hydroxy acid residues

B. Jaun, D. Seebach, K. Gademann, 2003 .

Design, synthesis and structural investigations of a beta-peptide forming a 314-helix stabilized by electrostatic interactions.

B. Jaun, D. Seebach, M. Rueping, 2004, Chemistry.

Mixed β2/β3-Hexapeptides and β2/β3-Nonapeptides Folding to (P)-Helices with Alternating Twelve- and Ten-Membered Hydrogen-Bonded Rings

B. Jaun, D. Seebach, M. Rueping, 2002 .

Methyl-coenzyme M reductase from methanogenic archaea: isotope effects on label exchange and ethane formation with the homologous substrate ethyl-coenzyme M.

B. Jaun, R. Thauer, Meike Goenrich, 2013, Journal of the American Chemical Society.

Intermediates in the catalytic cycle of methyl coenzyme M reductase: isotope exchange is consistent with formation of a σ-alkane-nickel complex.

B. Jaun, R. Thauer, Meike Goenrich, 2010, Angewandte Chemie.

Probing the reactivity of Ni in the active site of methyl-coenzyme M reductase with substrate analogues

B. Jaun, R. Thauer, E. Duin, 2004, JBIC Journal of Biological Inorganic Chemistry.

Oligoporphyrin arrays conjugated to [60] fullerene: Preparation, NMR analysis, and photophysical and electrochemical properties

F. Diederich, B. Jaun, L. Echegoyen, 2005 .

Binding of coenzyme B induces a major conformational change in the active site of methyl-coenzyme M reductase.

B. Jaun, R. Thauer, Meike Goenrich, 2010, Journal of the American Chemical Society.

Synthesis of β-hexa- and β-heptapeptides containing novel β2,3-amino acids with two serine or two cysteine side chains - CD- and NMR-spectroscopic evidence for 314-helical secondary structures in water

B. Jaun, D. Seebach, K. Gademann, 2000 .

The Effect of Fluoro Substitution upon the β‐Hairpin Fold of a β‐Tetrapeptide in Methanol

Dongqi Wang, W. F. Gunsteren, B. Jaun, 2010 .

Coenzyme F430 from methanogenic bacteria: reversible one-electron reduction of F430 pentamethyl ester to the nickel(I) form

B. Jaun, A. Pfaltz, 1986 .

Chemistry of corphinoids: structural properties of corphinoid nickel(II) complexes related to coenzyme F430

B. Kräutler, B. Jaun, C. Kratky, 1984 .

γ2‐, γ3‐, and γ2,3,4‐Amino Acids, Coupling to γ‐Hexapeptides: CD Spectra, NMR Solution and X‐ray Crystal Structures of γ‐Peptides

B. Jaun, D. Seebach, M. Rueping, 2002 .

Preparation and determination of X-ray-crystal and NMR-solution structures of γ2,3,4-peptides

B. Jaun, D. Seebach, B. Schweizer, 2001 .

Spectroscopic investigation of the nickel-containing porphinoid cofactor F430. Comparison of the free cofactor in the +1, +2 and +3 oxidation states with the cofactor bound to methyl-coenzyme M reductase in the silent, red and ox forms

B. Jaun, R. Thauer, E. Duin, 2004, JBIC Journal of Biological Inorganic Chemistry.

Nickel-alkyl bond formation in the active site of methyl-coenzyme m reductase.

B. Jaun, R. Thauer, 2009, Metal ions in life sciences.

The structure of a TNA-TNA complex in solution: NMR study of the octamer duplex derived from alpha-(L)-threofuranosyl-(3'-2')-CGAATTCG.

M. Ebert, B. Jaun, A. Eschenmoser, 2008, Journal of the American Chemical Society.

Pentopyranosyl Oligonucleotide Systems. 9th Communication

R. Micura, S. Pitsch, S. Wendeborn, 2003 .

NMR Solution Structure of the Duplex Formed by Self-Pairing of α-L-Arabinopyranosyl-(4′2′)-(CGAATTCG)

M. Ebert, B. Jaun, A. Eschenmoser, 2002 .

Peralkynylated buta-1,2,3-trienes: exceptionally low rotational barriers of cumulenic C=C bonds in the range of those of peptide C--N bonds.

F. Diederich, K. Houk, B. Jaun, 2004, Chemistry.

Structure of an F430 variant from archaea associated with anaerobic oxidation of methane.

F. Widdel, B. Jaun, D. Günther, 2008, Journal of the American Chemical Society.

Methyl‐Coenzyme M Reductase and its Nickel Corphin Coenzyme F430 in Methanogenic Archaea

B. Jaun, R. Thauer, 2007 .

Chemistry of pyrrocorphins: structure of nickel(II) ccccc-octaethyl-pyrrocorphinate in the solid state and in solution. Observation of the inversion Barrier between enantiomorphically Ruffled conformers

B. Jaun, C. Kratky, A. Eschenmoser, 1985 .

Solution structure of a DNA duplex containing a biphenyl pair.

B. Jaun, C. Leumann, A. Zahn, 2008, Chemistry.

Macrotricyclic Steroid Receptors by Pd°‐Catalyzed Cross‐Coupling Reactions: Dissolution of cholesterol in aqueous solution and investigations of the principles governing selective molecular recognition of steroidal substrates

F. Diederich, B. Jaun, V. Gramlich, 1998 .

Probing the Helical Secondary Structure of Short‐Chain β‐Peptides

B. Jaun, D. Seebach, Dario Rigo, 1996 .

Coenzyme B induced coordination of coenzyme M via its thiol group to Ni(I) of F430 in active methyl-coenzyme M reductase.

B. Jaun, R. Thauer, E. Duin, 2003, Journal of the American Chemical Society.

Direct determination of the number of electrons needed to reduce coenzyme F430 pentamethyl ester to the Ni(I) species exhibiting the electron paramagnetic resonance and ultraviolet-visible spectra characteristic for the MCR(red1) state of methyl-coenzyme M reductase.

B. Jaun, Rafal Piskorski, 2003, Journal of the American Chemical Society.

Coenzyme F430 from Methanogenic Bacteria: Detection of a Paramagnetic Methylnickel(II) Derivative of the Pentamethyl Ester by 2H-NMR Spectroscopy

B. Jaun, Shu-Kun Lin, 1991 .

Coenzyme F430 from methanogenic bacteria : oxidation of F430 pentamethyl ester to the Ni(III) form

B. Jaun, 1990 .

N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.

F. Diederich, I. Biaggio, B. Jaun, 2012, Organic letters.

Isotopically labelled and unlabelled β-peptides with geminal dimethyl substitution in 2-position of each residue: Synthesis and NMR investigation in solution and in the solid state

B. Meier, M. Ernst, A. Glättli, 2002 .

New Open‐Chain and Cyclic Tetrapeptides, Consisting of α‐, β2‐, and β3‐Amino‐Acid Residues, as Somatostatin Mimics – A Survey

D. Hoyer, B. Jaun, D. Seebach, 2008 .

Studies on the Conformation of Boc‐Protected (S)‐(+)‐Isovaline Homopeptide Methyl Esters in the Solid State and in Solution

B. Jaun, D. Seebach, Masakazu Tanaka, 1997 .

β2‐ and β3‐Peptides with Proteinaceous Side Chains: Synthesis and solution structures of constitutional isomers, a novel helical secondary structure and the influence of solvation and hydrophobic interactions on folding

B. Jaun, D. Seebach, K. Gademann, 1998 .

On the Photochemistry of 12,13‐Didehydrosqualene

B. Jaun, W. Mcwhorter, 1987 .

Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine

I. Schlichting, D. Hilvert, B. Jaun, 2009, Proceedings of the National Academy of Sciences.

C-Nucleosidations with 2,6-Diamino-5,8-diaza-7,9-dicarba-purine1

B. Jaun, A. Eschenmoser, Bo Han, 2003 .

Pleated Sheets and Turns of β-Peptides with Proteinogenic Side Chains.

B. Jaun, D. Seebach, K. Gademann, 1999, Angewandte Chemie.

Further C‐Alkylations of Cyclotetrapeptides via Lithium and Phosphazenium (P4) Enolates: Discovery of a New Conformation

B. Jaun, D. Seebach, W. Schweizer, 1996 .

Direct interaction of coenzyme M with the active‐site Fe–S cluster of heterodisulfide reductase

B. Jaun, R. Hedderich, R. A. Scott, 2005, FEBS letters.

Container molecules with portals: Reversibly switchable cycloalkane complexation.

F. Diederich, B. Jaun, Thomas Gottschalk, 2007, Angewandte Chemie.

Validation of the GROMOS 54A7 Force Field Regarding Mixed α/β‐Peptide Molecules

Dongqi Wang, W. F. Gunsteren, B. Jaun, 2012 .

Folding and Unfolding of Two Mixed α/β Peptides

Dongqi Wang, W. V. van Gunsteren, B. Jaun, 2009, Chembiochem : a European journal of chemical biology.

Synthesis, and Helix or Hairpin-Turn Secondary Structures of ‘Mixed’ α/β-Peptides Consisting of Residues with Proteinogenic Side Chains and of 2-Amino-2-methylpropanoic Acid (Aib)

B. Jaun, D. Seebach, R. Mathad, 2006 .

On the influence of charged side chains on the folding-unfolding equilibrium of beta-peptides: a molecular dynamics simulation study.

X. Daura, W. V. van Gunsteren, A. Glättli, 2005, Chemistry.

β-Depsipeptides—the effect of a missing and a weakened hydrogen bond on the stability of the β-peptidic 314-helix

B. Jaun, D. Seebach, M. Rueping, 2002 .

γ‐Peptides Forming More Stable Secondary Structures than α‐Peptides: Synthesis and helical NMR‐solution structure of the γ‐hexapeptide analog of H‐(Val‐Ala‐Leu)2‐OH

B. Jaun, D. Seebach, K. Gademann, 1998 .

β‐Peptidic Secondary Structures Fortified and Enforced by Zn2+ Complexation – On the Way to β‐Peptidic Zinc Fingers?

B. Jaun, D. Seebach, A. Wortmann, 2006 .

NMR-Solution Structures in Methanol of an α-Heptapeptide, of a β3/β2-Nonapeptide, and of an all-β3-Icosapeptide Carrying the 20 Proteinogenic Side Chains

B. Jaun, D. Seebach, C. Hilty, 2005 .

Linear and cyclic β3-oligopeptides with functionalised side-chains (-CH2OBn, -CO2Bn, -CH2CH2CO2Bn) derived from serine and from aspartic and glutamic acid

B. Jaun, D. Seebach, K. Gademann, 1998 .

"Mixed" β-peptides. A unique helical secondary structure in solution. Preliminary communication

B. Jaun, D. Seebach, K. Gademann, 1997 .

The Propensity of α-Aminoisobutyric Acid (=2-Methylalanine; Aib) to Induce Helical Secondary Structure in an α-Heptapeptide: A Computational Study

Wilfred F. van Gunsteren, Dongqi Wang, Bernhard Jaun, 2010 .

Synthesis, and Helix or Hairpin-Turn Secondary Structures of “Mixed” α/β-Peptides Consisting of Residues with Proteinogenic Side Chains and of 2-Amino-2-methylpropanoic Acid (Aib).

B. Jaun, D. Seebach, R. Mathad, 2006 .

γ2-, γ3-, and γ2,3,4-Amino Acids, Coupling to γ-Hexapeptides: CD Spectra, NMR Solution and X-Ray Crystal Structures of γ-Peptides.

B. Jaun, D. Seebach, M. Rueping, 2002 .

Note: Helix or No Helix of β‐Peptides Containing β3hAla(αF) Residues?

B. Jaun, D. Seebach, R. Mathad, 2011 .

The Effect of Backbone‐Heteroatom Substitution on the Folding of Peptides – A Single Fluorine Substituent Prevents a β‐Heptapeptide from Folding into a 314‐Helix (NMR Analysis)

B. Jaun, D. Seebach, R. Mathad, 2005 .

Simulation of beta-depsipeptides: the effect of missing hydrogen-bond donors on their folding equilibria.

W. V. van Gunsteren, A. Glättli, B. Jaun, 2007, Biopolymers.

NMR‐Solution Structures of Fluoro‐Substituted β‐Peptides: A 314‐Helix and a Hairpin Turn. The First Case of a 90° OCCF Dihedral Angle in an α‐Fluoro‐Amide Group

B. Jaun, D. Seebach, P. Seeberger, 2007 .

NMR Investigations into the Vase-Kite Conformational Switching of Resorcin[4]arene Cavitands

Vladimir A. Azov, François Diederich, Bernhard Jaun, 2004 .

Ground state Pi-electron triplet molecules of potential use in the synthesis of organic ferromagnets

Ronald Breslow, Robert Q. Kluttz, Bernhard Jaun, 1982 .

Temperature-Dependent NMR and CD Spectra ofβ-Peptides: On the Thermal Stability ofβ-Peptide Helices - Is the Folding Process ofβ-Peptides Non-cooperative?

G. Folkers, B. Jaun, D. Seebach, 1999 .

Gamma2-, gamma3-, and gamma(2,3,4)-amino acids, coupling to gamma-hexapeptides: CD spectra, NMR solution and X-ray crystal structures of gamma-peptides.

B. Jaun, D. Seebach, M. Rueping, 2002, Chemistry.

γ-Peptides Forming More Stable Secondary Structures than α-Peptides: Synthesis and Helical NMR-Solution Structure of the γ-Hexapeptide Analogue of H-(Val-Ala-Leu)2-OH.

B. Jaun, D. Seebach, K. Gademann, 1998 .

Spin density and coenzyme M coordination geometry of the ox1 form of methyl-coenzyme M reductase: a pulse EPR study.

B. Jaun, R. Thauer, E. Duin, 2005, Journal of the American Chemical Society.

NMR Structure in methanol of a β-hexapeptide with a disulfide clamp

B. Jaun, D. Seebach, M. Rueping, 2000 .

Advanced electron paramagnetic resonance on the catalytic iron–sulfur cluster bound to the CCG domain of heterodisulfide reductase and succinate: quinone reductase

B. Jaun, U. Ermler, M. Bennati, 2013, JBIC Journal of Biological Inorganic Chemistry.

Characterization of the MCRred2 form of methyl-coenzyme M reductase: a pulse EPR and ENDOR study

B. Jaun, R. Thauer, E. Duin, 2003, JBIC Journal of Biological Inorganic Chemistry.

On the early steps of cineol biosynthesis in Eucalyptus globulus.

B. Jaun, D. Arigoni, C. Rieder, 2000 .

Coordination and binding geometry of methyl-coenzyme M in the red1m state of methyl-coenzyme M reductase

B. Jaun, R. Thauer, M. Reiher, 2008, JBIC Journal of Biological Inorganic Chemistry.

Two sub-states of the red2 state of methyl-coenzyme M reductase revealed by high-field EPR spectroscopy

B. Jaun, R. Thauer, D. Hinderberger, 2007, JBIC Journal of Biological Inorganic Chemistry.

The nickel enzyme methyl-coenzyme M reductase from methanogenic archaea: In vitro induction of the nickel-based MCR-ox EPR signals from MCR-red2

B. Jaun, R. Thauer, E. Duin, 2002, JBIC Journal of Biological Inorganic Chemistry.

A nickel-alkyl bond in an inactivated state of the enzyme catalyzing methane formation.

B. Jaun, R. Thauer, D. Hinderberger, 2006, Angewandte Chemie.

The Early Steps of Cineol Biosynthesis in Eucalyptus globulus.

B. Jaun, D. Arigoni, C. Rieder, 2000 .

Biosynthesis of isoprenoids in Escherichia coli: The fate of the 3-H and 4-H atoms of 1-deoxy-D-xylulose

B. Jaun, D. Arigoni, J. Giner, 1998 .

FACTOR F430 FROM METHANOGENIC BACTERIA: STRUCTURE OF THE PORPHINOID LIGAND SYSTEM

B. Jaun, R. Thauer, A. Eschenmoser, 1982 .

The key nickel enzyme of methanogenesis catalyses the anaerobic oxidation of methane

Bernhard Jaun, B. Jaun, R. Thauer, 2010, Nature.

Coenzyme F430 from methanogenic bacteria: methane formation by reductive carbon–sulphur bond cleavage of methyl sulphonium ions catalysed by F430 pentamethyl ester

B. Jaun, A. Pfaltz, 1988 .

Methane formation by methanogenic bacteria: redox chemistry of coenzyme F430

B. Jaun, 1993 .

Breakdown of chlorophyll : constitution of a secoporphinoid chlorophyll catabolite isolated from senescent barley leaves

B. Kräutler, B. Jaun, W. Amrein, 1992 .

On the enigma of chlorophyll degradation:the constitution of a secoporphinoid catabolite.

B. Kräutler, B. Jaun, P. Matile, 1991 .

Methane Formation by Reaction of a Methyl Thioether with a Photo-Excited Nickel Thiolate—A Process Mimicking Methanogenesis in Archaea

B. Jaun, B. Schweizer, L. Signor, 2000 .

Das Nickelzentrum in Coenzym F430

B. Jaun, 1993 .

Methane formation by reaction of a methyl thioether with a photo-excited nickel thiolate--a process mimicking methanogenesis in archaea.

B. Jaun, B. Schweizer, L. Signor, 2000, Chemistry.

Mannich-Type C-Nucleosidations in the 5,8-Diaza-7,9-dicarba-purine Family1

B. Jaun, A. Eschenmoser, Bo Han, 2004 .

Mannich-type C-nucleosidations in the 5,8-diaza-7,9-dicarba-purine family.

B. Jaun, A. Eschenmoser, Bo Han, 2005, Organic letters.

Pentopyranosyl Oligonucleotide Systems. Communication No. 13

M. Ebert, B. Jaun, M. Beier, 2003 .

Methylation of the nucleobases in RNA oligonucleotides mediates duplex-hairpin conversion.

R. Micura, M. Ebert, B. Jaun, 2001, Nucleic acids research.

Why Pentose‐ and Not Hexose‐Nucleic Acids??. Part VII. Pyranosyl‐RNA (‘p‐RNA’). Preliminary communication

Bernhard Jaun, S. Pitsch, S. Wendeborn, 1993 .

PYRANOSYL-RNA ('P-RNA') : BASE-PAIRING SELECTIVITY AND POTENTIAL TO REPLICATE

S. Pitsch, S. Wendeborn, B. Jaun, 1995 .

Oligonucleotide Analogues with Integrated Bases and Backbone. Part 22

B. Jaun, A. Vasella, B. Bernet, 2009 .

Oligonucleotides with Sugars Other Than Ribo‐ and 2′‐Deoxyribofuranose in the Backbone: the Solution Structures Determined by NMR in the Context of the ‘Etiology of Nucleic Acids’ Project of Albert Eschenmoser

M. Ebert, B. Jaun, 2010, Chemistry & biodiversity.

Determination of the basicities of benzyl, allyl, and tert-butylpropargyl anions by anodic oxidation of organolithium compounds

B. Jaun, R. Breslow, J. Schwarz, 1980 .

Comparison of the NMR Spectroscopy Solution Structures of Pyranosyl‐RNA and Its Nucleo‐δ‐peptide Analogue

H. Schwalbe, M. Ebert, B. Jaun, 2002, Chembiochem : a European journal of chemical biology.

Structure elucidation of secalosides A and B by NMR spectroscopy

B. Jaun, B. Martinoni, F. Marazza, 1997 .

Biosynthesis of isoprenoids in Escherichia coli: Retention of the methyl H-atoms of 1-deoxy-D-xylulose

B. Jaun, J. Giner, 1998 .

PREPARATION AND CATIONIC REARRANGEMENTS OF ORTHO- AND PARA-METHOXY-TADDOLS

B. Jaun, D. Seebach, A. Beck, 1994 .

β‐Thiopeptides: Synthesis, NMR Solution Structure, CD Spectra, and Photochemistry

Magnus Rueping, Karl Gademann, Bernhard Jaun, 1999 .

RNA Two‐State Conformation Equilibria and the Effect of Nucleobase Methylation

R. Micura, M. Ebert, B. Jaun, 2002 .

Coenzyme F430 from Methanogenic Bacteria: Mechanistic studies on the reductive cleavage of sulfonium ions catalyzed by F430 pentamethyl ester

B. Jaun, Shu-Kun Lin, 1992 .

Coenzyme M binds to a [4Fe–4S] cluster in the active site of heterodisulfide reductase as deduced from EPR studies with the [33S]coenzyme M‐treated enzyme

B. Jaun, R. Hedderich, E. Duin, 2003, FEBS letters.

Interpreting experimental data by using molecular simulation instead of model building.

W. V. van Gunsteren, B. Jaun, R. Mathad, 2009, Chemistry.

Probing the Helical Secondary Structure of Short-Chain β-Peptides.

B. Jaun, D. Seebach, Dario Rigo, 1997 .

M. Ebert, B. Jaun, 2010, Chemistry & biodiversity.

Sodium 2-mercaptoethanesulfonate monohydrate (coenzyme M sodium salt monohydrate)

B. Jaun, D. Günther, W. Schweizer, 2008, Acta crystallographica. Section E, Structure reports online.

Methyl-coenzyme M reductase from methanogenic archaea: isotope effects on label exchange and ethane formation with the homologous substrate ethyl-coenzyme M.

B. Jaun, R. Thauer, Meike Goenrich, 2013, Journal of the American Chemical Society.

Methyl-coenzyme M reductase from methanogenic archaea: isotope effects on the formation and anaerobic oxidation of methane.

B. Jaun, R. Thauer, Meike Goenrich, 2013, Journal of the American Chemical Society.

Pyranosyl-RNA ("p-RNA"). NMR and molecular-dynamics study of the duplex formed by self-pairing of ribopyranosyl-(C-G-A-A-T-T-C-G)

S. Pitsch, B. Jaun, R. Wolf, 1996 .

Resorcin[4]arene Cavitand‐Based Molecular Switches

James K. Gimzewski, Bert Hecht, Yoriko Lill, 2006 .