Günther H.J. Peters

  1. 2014
  2. Published
  3. Published

    Determination of stability constants of tauro- and glyco-conjugated bile salts with the negatively charged sulfobutylether-β-cyclodextrin: comparison of affinity capillary electrophoresis and isothermal titration calorimetry and thermodynamic analysis of the interaction. / Holm, René; Østergaard, Jesper; Schönbeck, Jens Christian Sidney; Jensen, Henrik; Shi, Wei; Peters, Günther H.J.; Westh, Peter.

    In: Journal of Inclusion Phenomena and Macrocyclic Chemistry, Vol. 78, No. 1-4, 2014, p. 185-194.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  4. Published

    Extending the hydrophobic cavity of β-cyclodextrin results in more negative heat capacity changes but reduced binding affinities. / Schönbeck, Christian; Holm, René; Westh, Peter; Peters, Günther H.J.

    In: Journal of Inclusion Phenomena and Macrocyclic Chemistry, Vol. 78, No. 1-4, 2014, p. 351-361.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  5. Published

    Methyl 1-ethyl-3′-[hydroxy(naphthalen-1-yl)methyl]-1′-methyl-2- oxospiro[indoline-3,2′-pyrrolidine]-3′-carboxylate. / Vijayakuma, Vinodhkumar; Peters, Günther H.J.; Suresh, C.; Raghavachary, Raghunathan; Jagadeesan, G.

    In: Acta Crystallographica. Section E: Structure Reports Online, Vol. 70, No. 5, o540, 2014.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  6. Published

    Synthesis and crystal structures of 2-methyl-4-aryl-5-oxo-5H-indeno [1,2-b] pyridine carboxylate derivatives. / Pandian, Ramesh; Naushad, Edayadulla; Vijayakumar, Vinodhkumar; Peters, Günther H.J.; Nanjappagounder, Ponnuswamy Mondikalipudur.

    In: Chemistry Central Journal, Vol. 8, No. 1, 2014, p. 34.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  7. 2013
  8. Published

    Binding of Serotonin to Lipid Membranes. / Peters, Günther H.J.; Wang, Chunhua; Cruys-Bagger, Nicolaj; Velardez, Gustavo; Madsen, Jesper Jonasson; Westh, Peter.

    In: Journal of the American Chemical Society, Vol. 135, No. 6, 2013, p. 2164-2171.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  9. Published

    Development of a cysteine-deprived and C-terminally truncated GLP-1 receptor. / Underwood, Christina Rye; Knudsen, Lotte Bjerre; Garibay, Patrick W.; Peters, Günther H.J.; Reedtz-Runge, Steffen.

    In: Peptides, Vol. 49, 2013, p. 100-108.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  10. Published

    Effects of mannose, fructose, and fucose on the structure, stability, and hydration of lysozyme in aqueous solution. / Rahim, Abdoul; Peters, Günther H.J.; Jalkanen, Karl J.; Westh, P.

    In: Current Physical Chemistry, Vol. 3, No. 1, 2013, p. 113-125.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  11. Published

    Ligand binding and activation mechanism og the glucagon-like peptide-1 receptor. / Underwood, Christina Rye; Reedtz-Runge, Steffen (Main supervisor); Peters, Günther H.J. (Supervisor); Bjerre Knudsen, Lotte (Supervisor); Garibay, Patrick W. (Supervisor).

    Technical University of Denmark, Department of Chemical Engineering, 2013. 112 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2013

  12. 2012
  13. Published

    Diffusion of water and selected atoms in DMPC lipid bilayer membranes. / Hansen, Flemming Yssing; Peters, Günther H.J.; Taub, H.; Miskowiec, A.

    In: Journal of Chemical Physics, Vol. 137, No. 20, 2012, p. Paper 204910.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  14. Published
  15. 2011
  16. Published

    Affinity of four polar neurotransmitters for lipid bilayer membranes. / Wang, Chunhua; Ye, Fengbin; Valardez, Gustavo F.; Peters, Günther H.J.; Westh, Peter.

    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 115, No. 1, 2011, p. 196-203.

    Publication: Research - peer-reviewJournal article – Annual report year: 2011

  17. Published

    Mean span dimensions of ideal polymer chains containing branches and rings. / Wang, Yanwei; Teraoka, Iwao; Hansen, Flemming Yssing; Peters, Günther H.J.; Hassager, Ole.

    In: Macromolecules, Vol. 44, No. 2, 2011, p. 403-412.

    Publication: Research - peer-reviewJournal article – Annual report year: 2011

  18. Published

    Molecular Modeling of Enzyme Dynamics Towards Understanding Solvent Effects. / Wedberg, Nils Hejle Rasmus Ingemar; Abildskov, Jens (Supervisor); Peters, Günther H.J. (Supervisor).

    Kgs.Lyngby : Technical University of Denmark, Department of Chemical Engineering, 2011. 207 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2011

  19. Published

    Pair Correlation Function Integrals : Computation and Use. / Wedberg, Nils Hejle Rasmus Ingemar; O'Connell, John P.; Peters, Günther H.J.; Abildskov, Jens.

    In: Journal of Chemical Physics, Vol. 135, 2011, p. 084113.

    Publication: Research - peer-reviewJournal article – Annual report year: 2011

  20. Published

    Reconciliation of opposing views on membrane-sugar interactions.. / Andersen, Heidi D.; Wang, Chunhua; Arleth, Lise; Peters, Günther H.J.; Westh, Peter.

    In: National Academy of Sciences. Proceedings, Vol. 108, No. 5, 2011, p. 1874-1878.

    Publication: Research - peer-reviewJournal article – Annual report year: 2011

  21. E-pub ahead of print
  22. Published

    Synthesis and serotonin transporter activity of 1,3-bis(aryl)-2-nitro-1-propenes as a new class of anticancer agents. / McNamara, Yvonne M.; Cloonan, Suzanne M.; Knox, Andrew J.S.; Keating, John J.; Butler, Stephen G.; Peters, Günther H.J.; Meegan, Mary J.; Williams, D. Clive.

    In: Bioorganic & Medicinal Chemistry, Vol. 19, No. 3, 2011, p. 1328-1348.

    Publication: Research - peer-reviewJournal article – Annual report year: 2011

  23. Published

    Total and Direct Correlation Function Integrals from Molecular Simulation of Binary Systems. / Wedberg, Nils Hejle Rasmus Ingemar; O’Connell, John P.; Peters, Günther H.J.; Abildskov, Jens.

    In: Fluid Phase Equilibria, Vol. 302, No. 1-2, 2011, p. 32-42.

    Publication: Research - peer-reviewJournal article – Annual report year: 2011

  24. 2010
  25. Published

    Accurate Kirkwood-Buff integrals from molecular simulations. / Wedberg, Rasmus; Peters, Günther H.J.; O*Connell, John P.; Abildskov, Jens.

    In: Molecular Simulation, Vol. 36, No. 15, 2010, p. 1243-1252.

    Publication: Research - peer-reviewJournal article – Annual report year: 2010

  26. Published

    A Theoretical Study of the Separation Principle in Size Exclusion Chromatography. / Wang, Yanwei; Teraoka, Iwao; Hansen, Flemming Yssing; Peters, Günther H.J.; Hassager, Ole.

    In: Macromolecules, Vol. 43, No. 3, 2010, p. 1651-1659.

    Publication: Research - peer-reviewJournal article – Annual report year: 2010

  27. Published

    Correlated volume-energy fluctuations of phospholipid membranes: A simulation study. / Pedersen, Ulf. R.; Peters, Günther H.J.; Schröder, Thomas B.; Dyre, Jeppe C.

    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 114, No. 6, 2010, p. 2124-2130.

    Publication: Research - peer-reviewJournal article – Annual report year: 2010

  28. Published

    Crystal Structure of Glucagon-like Peptide-1 in Complex with the Extracellular Domain of the Glucagon-like Peptide-1 Receptor. / Underwood, Christina Rye; Garibay, P.; Knudsen, L.B.; Hastrup, S.; Peters, Günther H.J.; Rudolph, R.; Reedtz-Runge, S.

    In: Journal of Biological Chemistry, Vol. 285, No. 1, 2010, p. 723-730.

    Publication: Research - peer-reviewJournal article – Annual report year: 2010

  29. Published

    Fluctuation solution properties from molecular simulations. / Wedberg, Rasmus; O*Connell, John P.; Peters, Günther H.J.; Abildskov, Jens.

    2010. Poster session presented at 12th International Conference on Properties and Phase Equilibria for Product and Process Design, Suzhou, Jiangsu, China.

    Publication: Research - peer-reviewPoster – Annual report year: 2010

  30. Published

    From Buffon's Needle to Partitioning of Polymers in Confining Pores. / Wang, Y.; Hansen, F.Y.; Peters, G.H.J.; Hassager, O.

    2010. Poster session presented at Novel Simulation Approaches to Soft Matter Systems (NSASM10), Dresden, Germany, .

    Publication: ResearchPoster – Annual report year: 2010

  31. Published

    How big are Polymers? : The span dimension as a measure of polymer size. / Hassager, O.; Wang, Y.; Teraoka, I.; Hansen, F.Y.; Peters, G.H.J.

    2010. Paper presented at 6th Annual European Rheology Conference, Göteborg, Sweden.

    Publication: ResearchPaper – Annual report year: 2010

  32. Published
  33. Published

    Studying Candida Antarctica Lipase B in Organic Solvents at Fixed Water Activities using Molecular Dynamics Simulations. / Wedberg, Rasmus; Peters, Günther H.J.; Abildskov, Jens.

    2010. Poster session presented at IBBI 2010 (Isolated biomolecules and biomolecular interactions), Berlin, Germany, .

    Publication: Research - peer-reviewPoster – Annual report year: 2010

  34. Published

    Substrate Recognition in the Escherichia coli Ammonia Channel AmtB: A QM/MM Investigation. / Nygaard, Thomas Pedersen; Alfonso-Prieto, M.; Peters, Günther H.J.; Jensen, M. O.; Rovira, C.

    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 114, No. 36, 2010, p. 11859-11865.

    Publication: Research - peer-reviewJournal article – Annual report year: 2010

  35. Published

    The critical molecular size parameter in size exclusion chromatography: Theory and experimental evidence. / Wang, Y.; Teraoka, I.; Hansen, F.Y.; Peters, G.H.J; Hassager, O.

    2010. Poster session presented at International Symposium on Polymer Analysis and Characterization (ISPAC), Pohang, South Korea, .

    Publication: ResearchPoster – Annual report year: 2010

  36. 2009
  37. Published
  38. Published

    Accurate Kirkwood-Buff integrals from molecular dynamics simulations. / Wedberg, Rasmus (Author); O’Connell, John P. (Author); Peters, Günther H.j. (Author); Abildskov, Jens (Author).

    2009. 4th International Conference on Molecular Modeling and Simulation, Blaine, WA, United States, 12/07/09.

    Publication: ResearchSound/Visual production (digital) – Annual report year: 2009

  39. Published

    Accurate Kirkwood-Buff Integrals from Molecular Dynamics Simulations. / Wedberg, Rasmus; O*Connell, John P.; Peters, Günther H.J.; Abildskov, Jens.

    2009. Poster session presented at Fourth International Conference – Foundations of Molecular Modeling and Simulations FOMMS, Blaine, WA, U.S.A., .

    Publication: Research - peer-reviewPoster – Annual report year: 2009

  40. Published

    Accurate Kirkwood-Buff Integrals from Molecular Dynamics Simulations. / Wedberg, Rasmus; O*Connell, John P.; Peters, Günther H.J.; Abildskov, Jens.

    2009. Poster session presented at 2009 AIChE Annual Meeting, Nashville, TN, United States.

    Publication: Research - peer-reviewPoster – Annual report year: 2009

  41. Published

    Accurate Kirkwood-Buff Integrals From Molecular Dynamics Simulations. / Wedberg, Rasmus (Author); O'Connell, John P. (Author); Peters, Günther H.J. (Author); Abildskov, Jens (Author).

    2009. 2009 AIChE Annual Meeting, Nashville, TN, United States, 08/11/09.

    Publication: ResearchSound/Visual production (digital) – Annual report year: 2009

  42. Published

    Controlling the hydrolysis rate of secretory phospholipase A2 by designing phospholipid analogs: an MD and QM/MM study. / Krantz, Kristian; Fristrup, Peter; Peters, Günther H.J.

    2009. Poster session presented at Annual Molecular Modelling Workshop & Annual International Meeting of the Molecular Graphics Modelling Society, Erlangen, Germany.

    Publication: Research - peer-reviewPoster – Annual report year: 2009

  43. Published
  44. Published

    Effects of Fatty Acid Inclusion in a DMPC Bilayer Membrane. / Peters, Günther H.J.; Hansen, Flemming Yssing; Møller, Martin S; Westh, Peter.

    In: Journal of Physical Chemistry B, Vol. 113, No. 1, 2009, p. 92-102.

    Publication: Research - peer-reviewJournal article – Annual report year: 2009

  45. Published

    Enzymatic hydrolysis of cellulose fibers: A computational study. / Madsen, Jesper; Westh, Peter; Peters, Günther H.J.

    2009. Poster session presented at Annual Molecular Modelling Workshop & Annual International Meeting of the Molecular Graphics Modelling Society, Erlangen, Germany.

    Publication: Research - peer-reviewPoster – Annual report year: 2009

  46. Published

    Equilibrium partitioning of polymers between bulk dilute solution and confining pores. / Wang, Yanwei; Hansen, Flemming Yssing; Peters, Günther H.j.; Hassager, Ole.

    Bulletin of The American Physical Society. Vol. 54 2009.

    Publication: ResearchConference abstract in proceedings – Annual report year: 2009

  47. Published

    Equilibrium Partitioning of Polymers between Bulk Dilute Solution and Confining Pores. / Wang, Yanwei; Hansen, Flemming Yssing; Peters, Günther H.J.; Hassager, Ole.

    2009. Poster session presented at 2009 Annual March meeting of the American Physical Society, Pittsburgh, PA, United States.

    Publication: Research - peer-reviewPoster – Annual report year: 2009

  48. Published
  49. Published

    Molecular Docking Studies to Gain Insights into Binding Interactions of Novel DACA Analogs – G-Quadruplex DNA. / Subramanian, Arun Kumar; Gan, Y.; Drew, M.G.B.; Cardin, C.J.; Peters, Günther H.J.

    2009. Poster session presented at Annual Molecular Modelling Workshop & Annual International Meeting of the Molecular Graphics Modelling Society, Erlangen, Germany.

    Publication: Research - peer-reviewPoster – Annual report year: 2009

  50. Published

    Synthesis and serotonin transporter activity of sulphur-substituted alpha-alkyl phenethylamines as a new class of anticancer agents. / Cloonan, Suzanne M.; Keating, John J.; Butler, Stephen G.; Knox, Andrew J. S.; Jørgensen, Anne Marie; Peters, Günther H.J.; Rai, Dilip; Corrigan, Desmond; Lloyd, David G.; Williams, D Clive; Meegan, Mary J.

    In: European Journal of Medicinal Chemistry, Vol. 44, No. 12, 2009, p. 4862-4888.

    Publication: Research - peer-reviewJournal article – Annual report year: 2009

  51. Published
  52. Published

    Unique Water Entering Path into Secretary Phospholipase A2 Active Site. / Subramanian, Arun Kumar (Author); Peters, Günther H.J. (Author).

    2009. Annual Molecular Modelling Workshop & Annual International Meeting of the Molecular Graphics Modelling Society, Erlangen, Germany, 07/09/09.

    Publication: ResearchSound/Visual production (digital) – Annual report year: 2009

  53. 2008
  54. Published

    Computer simulations of phospholipid - membrane thermodynamic fluctuations. / Pedersen, U.R.; Peters, Günther H.j.; Schröder, T.B.; Dyre, J.C.

    In: High Energy Physics & Nuclear Physics, Vol. arXiv:0811.3317v1 [physics.bio-ph], 2008.

    Publication: Research - peer-reviewJournal article – Annual report year: 2008

  55. Published
  56. Published

    Isothermal Compressibility from Fluctuation Solution Theory. / Wedberg, Rasmus; Peters, Günther H.j.; Abildskov, Jens.

    2008. Poster session presented at 23rd European Symposium on Applied Thermodynamics, Cannes, France.

    Publication: Research - peer-reviewPoster – Annual report year: 2008

  57. Published
  58. Published

    Organic and inorganic osmolytes at lipid membrane interfaces. / Westh, P.; Peters, Günther H.j.

    Structure and Dynamics of Membranous Interfaces. ed. / K. Nag. Wiley, 2008. p. 228-266.

    Publication: Research - peer-reviewBook chapter – Annual report year: 2008

  59. Published

    Phospholipase A2 activity towards synthesized, liposome-forming phospholipids with sn-1 substitutions: Molecular insight from biophysical characterization and simulations. / Linderoth, L.; Andresen, T.L.; Jørgensen, K.; Madsen, Robert; Peters, Günther H.j.

    In: Biophysical Journal, Vol. 94, 2008, p. 14-26.

    Publication: Research - peer-reviewJournal article – Annual report year: 2008

  60. Published
  61. Published

    Total Correlation Function Integrals and Isothermal Compressibilities from Molecular Simulations. / Wedberg, Rasmus; Peters, Günther H.j.; Abildskov, Jens.

    In: Fluid Phase Equilibria, Vol. 273, No. 1-2, 2008, p. 1-10.

    Publication: Research - peer-reviewJournal article – Annual report year: 2008

  62. Published

    Volume-Energy Correlations in the Slow Degrees of Freedom of Computer-Simulated Phospholipid Membranes. / Pedersen, U.R.; Peters, Günther H.j.; Schröder, T.B.; Dyre, J.C.

    AIP Conference Proceedings. Vol. 982 American Institute of Physics, 2008. p. 407-409.

    Publication: Research - peer-reviewArticle in proceedings – Annual report year: 2008

  63. 2007
  64. Published
  65. Published

    Ammonium recruitment and ammonia transport by E-coli ammonia channel AmtB. / Nygaard, Thomas Pedersen; Rovira, C.; Peters, Günther H.j.; Jensen, Mikael Odderup.

    In: Biophysical Journal, No. supplement, 01.2007, p. 118A-118A.

    Publication: Research - peer-reviewConference abstract in journal – Annual report year: 2007

  66. Published

    A general method to study equilibrium partitioning of macromolecules. / Wang, Yanwei (Author); Peters, Günther H.j. (Author); Hansen, Flemming Yssing (Author); Hassager, Ole (Author).

    2007. The Society of Rheology 79th Annual Meeting, Salt Lake City, Utah, 01/01/07.

    Publication: ResearchSound/Visual production (digital) – Annual report year: 2007

  67. Published

    A general method to study equilibrium partitioning of macromolecules into confining geometries. / Wang, Yanwei; Peters, Günther H.J.; Hansen, Flemming Yssing; Hasager, O.

    2007. Abstract from 79th Annual Meeting of the Society of Rheology, Salt Lake City, USA, .

    Publication: ResearchConference abstract for conference – Annual report year: 2007

  68. Published

    A study of SEC chromatograms on the basis of polymer structure properties. / Wang, Yanwei (Author); Peters, Günther H.j. (Author); Hansen, Flemming Yssing (Author); Hassager, Ole (Author).

    2007. European Congress of Chemical Engeering - 6, Copenhagen, 01/01/07.

    Publication: ResearchSound/Visual production (digital) – Annual report year: 2007

  69. Published

    Generation of thermodynamic data for organic liquid mixtures from molecular simulations. / Christensen, Steen; Peters, Günther H.j.; Hansen, Flemming Yssing; O'Conell, J.; Abildskov, Jens.

    In: Molecular Simulation, Vol. 33, No. 4-5, 2007, p. 449-457.

    Publication: Research - peer-reviewConference article – Annual report year: 2007

  70. Published

    Homology modeling of the serotonin transporter: Insights into the primary escitalopram-binding Site. / Jørgensen, Anne Marie; Tagmose, Tina Møller; Jørgensen, A.M.M.; Topiol, S.; Sabio, M.; Gundertofte, K.; Bøgesø, K.P.; Peters, Günther H.j.

    In: ChemMedChem, Vol. 2, No. 6, 2007, p. 815-826.

    Publication: Research - peer-reviewJournal article – Annual report year: 2007

  71. Published

    Molecular dynamics simulations of Na+/Cl--dependent neurotransmitter transporters in a membrane-aqueous system. / Jørgensen, Anne Marie; Tagmose, L.; Jørgensen, A.M.M.; Bogeso, K.P.; Peters, Günther H.j.

    In: Chemmedchem, Vol. 2, No. 6, 2007, p. 827-840.

    Publication: Research - peer-reviewJournal article – Annual report year: 2007

  72. Published

    Molecular dynamics Simulations of Na+/Cl- dependent neurotransmitter transporters in a Membrane-Aqueous system. / Jørgensen, A.M.; Tagmose, L.; Jørgensen, A.M.M.; Bøgesø, K.P.; Peters, Günther H.j.

    In: ChemMedChem, Vol. 2, 2007, p. 827-840.

    Publication: Research - peer-reviewJournal article – Annual report year: 2007

  73. Published

    Molecular packing in 1-hexanol-DMPC bilayers studied by molecular dynamics simulation. / Pedersen, U.R.; Peters, Günther H.j.; Westh, P.

    In: Biophysical Chemistry, Vol. 125, No. 1, 2007, p. 104-111.

    Publication: Research - peer-reviewJournal article – Annual report year: 2007

  74. Published

    Molekylsimulering i industriel sammenhæng. / Abildskov, Jens; Christensen, Steen; Peters, Günther H.j.; Hansen, Flemming Yssing.

    In: Dansk Kemi, Vol. 88, No. 2, 2007, p. 18-21.

    Publication: Research - peer-reviewJournal article – Annual report year: 2007

  75. Published

    Reparameterization of all-atom dipalmitoylphosphatidylcholine lipid parameters enables simulation of fluid bilayers at zero tension. / Sonne, Jacob; Jensen, M.Ø.; Hansen, Flemming Yssing; Hemmingsen, L.; Peters, Günther H.j.

    In: Biophysical Journal, Vol. 92, No. 12, 2007, p. 4157-4167.

    Publication: Research - peer-reviewJournal article – Annual report year: 2007

  76. Published

    Secretory Phospholipase A2 Hydrolysis Phospholipid Analogs is Dependent on Water Accessibility to the Active Site. / Peters, Günther H.j.; Møller, M.S.; Jørgensen, K.; Rönnholm, P.; Mikkelsen, M.; Andresen, Thomas Lars.

    In: American Chemical Society. Journal, Vol. 129, 2007, p. 5451-5461.

    Publication: Research - peer-reviewJournal article – Annual report year: 2007

  77. Published

    Simulation of the coupling between nucleotide binding and transmembrane domains in the ABC transporter BtuCD,. / Sonne, Jacob; Kandt, C.; Peters, Günther H.j.; Hansen, Flemming Yssing; Jensen, M.Ø.; Tieleman, D.P.

    In: Biophysical Journal, Vol. 92, 2007, p. 2727-2734.

    Publication: Research - peer-reviewJournal article – Annual report year: 2007

  78. Published
  79. Published
  80. Published

    Synthesis of sn-1 functionalized phospholipids as substrates for secretory phospholipase A2. / Linderoth, Lars; Peters, Günther H.J.; Jørgensen, K.; Madsen, Robert; Andresen, Thomas Lars.

    In: Chemistry and Physics of Lipids, Vol. 125, 2007, p. 54-66.

    Publication: Research - peer-reviewJournal article – Annual report year: 2007

  81. Published

    Thermodynamic Models from Fluctuation Solution Theory Analysis of Molecular Simulations. / Christensen, Steen (Author); Peters, Günther H.j. (Author); Hansen, Flemming Yssing (Author); Abildskov, Jens (Author).

    2007. 11th International Conference on Properties and Phase Equilibria for Product and Process Design, Crete, Greece, 20/05/07.

    Publication: ResearchSound/Visual production (digital) – Annual report year: 2007

  82. Published

    Thermodynamic Models from Fluctuation Solution Theory Analysis of Molecular Simulations. / Abildskov, Jens (Author); Christensen, Steen (Author); Peters, Günther H.j. (Author); Hansen, Flemming Yssing (Author); O'Connell, John (Author).

    2007. European Congress of Chemical Engineering - 6, Copenhagen, Denmark, 16/09/07.

    Publication: ResearchSound/Visual production (digital) – Annual report year: 2007

  83. Published

    Thermodynamic Models from Fluctuation Solution Theory Analysis of Molecular Simulations. / Abildskov, Jens; Christensen, Steen; Peters, Günther H.j.; Hansen, Flemming Yssing; O’Connell, J.P.

    ECCE-6 Book of Abstracts. Vol. 2 2007. p. 43-44.

    Publication: ResearchArticle in proceedings – Annual report year: 2007

  84. Published

    Thermodynamic Models from Fluctuation Solution Theory Analysis of Molecular Simulations. / Christensen, Steen; Peters, Günther H.j.; Hansen, Flemming Yssing; Abildskov, Jens.

    In: Fluid Phase Equilibria, Vol. 261, No. 1-2, 2007, p. 185-190.

    Publication: Research - peer-reviewConference article – Annual report year: 2007

  85. Published

    Thermodynamic Models from Fluctuation Solution Theory Analysis of Molecular Simulations. / Abildskov, Jens; Christensen, S.; Peters, Günther H.j.; Hansen, Flemming Yssing; O'Conell, J.

    2007. Poster session presented at European Process Intensification Conference (EPIC), .

    Publication: ResearchPoster – Annual report year: 2007

  86. 2006
  87. Published

    Ammonium recruitment and ammonia transport by E-coli ammonia channel AmtB. / Nygaard, T.P.; Rovira, c.; Peters, Günther H.j.; Jensen, M.Ø.

    In: Biophysical Journal, Vol. 91, No. 12, 12.2006, p. 4401-4412.

    Publication: Research - peer-reviewJournal article – Annual report year: 2006

  88. Published

    Activation of interfacial enzymes at membrane surfaces. / Mouritsen, O.G.; Andresen, T.L.; Halperin, A.; Hansen, P.L.; Jakobsen, A.F.; Jensen, U.B.; Jensen, M.Ø.; Jørgensen, K.; Kaasgaard, T.; Leidy, C.; Simonsen, A.C.; Peters, Günther H.j.; Weiss, M.

    In: JOURNAL OF PHYSICS-CONDENSED MATTER, Vol. 18, 2006, p. S1293-S1304.

    Publication: Research - peer-reviewJournal article – Annual report year: 2006

  89. Published

    Domain-induced activation of human phospholipase A(2) type IIA: Local versus global lipid composition. / Leidy, C.; Linderoth, L.; Andresen, T.L.; Mouritsen, O.G.; Jørgensen, K.; Peters, Günther H.j.

    In: Biophysical Journal, Vol. 90, No. 9, 2006, p. 3165-3175.

    Publication: Research - peer-reviewJournal article – Annual report year: 2006

  90. Published

    Domain-Induced Activation of Human Phospholipase A2 type IIA: Local versus Global Lipid Composition. / Leidy, C.; Linderoth, L.; Andresen, T.L.; Henriksen, J.R.; Mouritsen, O.G.; Jørgensen, K.; Peters, Günther H.j.

    2006. Poster session presented at 50th Annual Meeting Biophysical Society, Salt Lake City, UT, United States.

    Publication: ResearchPoster – Annual report year: 2006

  91. Published
  92. Published

    DPD and its application in studying polymer science. / Wang, Y. (Author); Hassager, Ole (Author); Hansen, Flemming Yssing (Author); Peters, Günther H.j. (Author).

    2006. Nordic Polymer Days 2006, Copenhagen, Denmark, 29/05/06.

    Publication: ResearchSound/Visual production (digital) – Annual report year: 2006

  93. Published

    Generation of thermodynamic data for organic liquid mixtures from molecular simulations. / Christensen, S.; Abildskov, Jens; Peters, Günther H.j.; Hansen, Flemming Yssing.

    2006. Poster session presented at 3rd International Conference on Foundations of Molecular Modeling and Simulation, Blaine, WA, United States.

    Publication: ResearchPoster – Annual report year: 2006

  94. Published

    MD Simulation of polymer melts: Potential Model, Chain Architecture and DPD Thermostat. / Wang, Yanwei; Hassager, Ole; Hansen, Flemming Yssing; Peters, Günther H.J.

    2006. Poster session presented at 78th Annual Meeting of the Society of Rheology, .

    Publication: ResearchPoster – Annual report year: 2006

  95. Published

    Mechanistic insight into ammonia transport across the E.coli ammonia channel AmtB. / Nygaard, T.P.; Peters, Günther H.j.; Jensen, M.Ø.

    2006. Poster session presented at 50th Annual Meeting Biophysical Society, Salt Lake City, UT, United States.

    Publication: ResearchPoster – Annual report year: 2006

  96. Published

    Molecular dynamics simulation of polymer melts: potential model, chain architecture and. / Wang, Y.; Hansen, Flemming Yssing; Peters, Günther H.j.; Hassager, Ole.

    2006. Poster session presented at The Society of Rheology 78th Annual Meeting, Portland, Maine, USA, .

    Publication: ResearchPoster – Annual report year: 2006

  97. Published

    Molecular Dynamics Simulations of the Serotonin Transporter Embedded in a Membrane System. / Jørgensen, A.M.; Peters, Günther H.j.

    2006. Poster session presented at 38th Sandbjerg Meeting on Membrane Transport, Sandbjerg, Denmark, .

    Publication: ResearchPoster – Annual report year: 2006

  98. Published

    Phospholipase A2 activity towards synthesized, liposome-forming phospholipids:. / Linderoth, L.; Andresen, T.L.; Jørgensen, K.; Madsen, Robert; Peters, Günther H.j.

    2006. Poster session presented at FEBS Special Meeting/European Lipidomics Initiative: New concepts in lipidology: from lipidomics to disease, Noordwijkerhout, The Netherlands, .

    Publication: ResearchPoster – Annual report year: 2006

  99. Published

    Prediction of Bubble Point Pressure Curve for the Binary System of Ethanol and 1,1,1,2,3,3,3-Heptafluoroproane at 283.17 K and 343.13 K. / Christensen, Steen (Author); Peters, Günther H.j. (Author); Hansen, Flemming Yssing (Author); O'Connell, J.P. (Author); Abildskov, Jens (Author).

    2006. 2006 AIChE Annual Meeting, San Francisco, CA, United States, 12/11/06.

    Publication: ResearchSound/Visual production (digital) – Annual report year: 2006

  100. Published

    The effect of calcium on the properties of charged phospholipid bilayers. / Pedersen, U.R.; Leidy, C.; Westh, P.; Peters, Günther H.j.

    In: BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES, Vol. 1758, 2006, p. 573-582.

    Publication: Research - peer-reviewJournal article – Annual report year: 2006

  101. 2005
  102. Published
  103. Published

    Methodological problems in pressure profile calculations for lipid bilayers. / Sonne, Jacob; Hansen, Flemming Yssing; Peters, Günther H.J.

    In: Journal of Chemical Physics, Vol. 122, No. 12, 2005, p. 124903.

    Publication: Research - peer-reviewJournal article – Annual report year: 2005

  104. Published

    Multilevel Modeling of Complex Systems. / Christensen, S.; Abildskov, Jens; Peters, Günther H.j.; Hansen, Flemming Yssing.

    2005. Abstract from 2005 AIChE Annual Meeting, Cincinnati, OH, United States.

    Publication: ResearchConference abstract for conference – Annual report year: 2005

  105. 2004
  106. Published

    Computer Simulations: A Tool for Investigating the Function of Complex Biological Macromolecules. / Peters, Günther H.j.

    Enzyme Functionality - Design, Engineering, and Screening. 2004.

    Publication: Research - peer-reviewBook chapter – Annual report year: 2004

  107. Published

    Energetics and Dynamics of Phosphorylation of Asp54 in the Response Regulator Protein Spo0F. / Peters, Günther H.j.; Hansen, Flemming Yssing; Jensen, M.Oe.; Pedersen, T.H.

    2004.

    Publication: Research - peer-reviewPoster – Annual report year: 2004

  108. Published
  109. Published
  110. Published

    Human PLA2 type IIA shows increased activity in the presence of lipidphase coexistence. / Peters, Günther H.j.

    2004.

    Publication: Research - peer-reviewPoster – Annual report year: 2004

  111. Published
  112. Published

    Mapping of epitopes for autoantibodies to the Type 1 diabetes autoantigen IA-2 by peptide phage display and molecular modelling: Overlap of antibody and T-cell determinants.. / Peters, Günther H.j.; Endl, J.; Tighe, P.; Todd, I.; Christie, M.R.; Dromey, J.A.; Weenink, S.M.

    In: Journal of Immunology, Vol. 172, 2004, p. 4084-4090.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  113. Published

    Residue 182 influences the second step of protein-tyrosine phosphatase-mediated catalysis. / Peters, Günther H.J.; Pedersen, A.K.; Guo, X.; Møller, K.B.; Andersen, H.S.; Kastrup, J.S.; Mortensen, S.B.; Iversen, L.F.; Zhang, Z.-Y.; Møller, N.P.H.

    In: Biochemical Journal, Vol. 378, 2004, p. 421-433.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  114. Published

    Residue 259 in protein-tyrosine phosphatase PTP1B and PTPalpha determines the flexibility of glutamine 262. / Peters, Günther H.j.; Iversen, L.F.; Andersen, H.S.; Møller, N.P.H.; Olsen, Ove Holger.

    In: Biochemistry, Vol. 43, No. 26, 2004, p. 18-28.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  115. Published

    Simulations of a Membrane-Anchored Peptide: Structure, Dynamics, and Influence on Bilayer Properties. / Jensen, M.Ø.; Mouritsen, O.G.; Peters, Günther H.j.

    In: Biophysical Journal, Vol. 86, No. 6, 2004, p. 3556-3575.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  116. Published
  117. Published

    Water molecule network and active site flexibility of apo protein tyrosine phosphatase 1B. / Peters, Günther H.j.; Pedersen, A.K.; Møller, K.B.; Iversen, L.F.; Kastrup, J.S.

    In: Acta Crystallographica - Section D, Vol. 60, 2004, p. 1527-1534.

    Publication: Research - peer-reviewJournal article – Annual report year: 2004

  118. 2003
  119. Published

    A novel strategy for the development of selective active-site inhibitors of the protein tyrosine phosphatase-like proteins islet-cell antigen 512 (IA-2) and phogrin (IA-2 beta). / Drake, P.G.; Peters, Günther H.j.; Andersen, H.S.; Hendriks, W.; Moller, N.P.H.

    In: Biochemical journal, Vol. 373, 2003, p. 393-401.

    Publication: Research - peer-reviewJournal article – Annual report year: 2003

  120. Published

    Enzyme kinetic characterization of protein tyrosine phosphatases. / Peters, Günther H.j.; Branner, S.; Møller, K. B.; Andersen, J.N.; Møller, N.P.H.

    In: Biochimie, Vol. 85, No. 5, 2003, p. 527-534.

    Publication: Research - peer-reviewJournal article – Annual report year: 2003

  121. Published

    Ligand-induced conformational changes: Improved predictions of ligand binding conformations and affinities. / Frimurer, T.M.; Peters, Günther H.j.; Iversen, L.F.; Andersen, H.S.; Moller, N.P.H.; Olsen, Ove Holger.

    In: Biophysical journal, Vol. 84, No. 4, 2003, p. 2273-2281.

    Publication: Research - peer-reviewJournal article – Annual report year: 2003

  122. Published

    Water in contact with extended hydrophobic surfaces: Direct evidence of weak dewetting. / Jensen, Torben René; Jensen, Morten Østergaard; Reitzel, Niels; Balashev, Konstantin; Peters, Günther H.J.; Kjær, Kristian; Bjørnholm, T.

    In: Physical Review Letters, Vol. 90, No. 8, 2003, p. 086101.

    Publication: Research - peer-reviewJournal article – Annual report year: 2003

  123. 2002
  124. Published

    Essential motions in a fungal lipase with bound substrate, covalently attached inhibitor and product. / Peters, Günther H.J.; Bywater, R.P.

    In: Journal of Molecular Recognition, Vol. 15, No. 6, 2002, p. 393-404.

    Publication: Research - peer-reviewJournal article – Annual report year: 2002

  125. Published

    Glycosylation of Thermomyces lanuginosa lipase enhances surface binding towards phospholipids, but does not significantly influence the catalytic activity. / Peters, Günther H.J.; Svendsen, Anne; Langbjerg, H.; Vind, J.; Patkar, S.A.; Kinnunen, P.K.J.

    In: COLLOIDS AND SURFACES B-BIOINTERFACES, Vol. 26, No. 1-2, 2002, p. 125-134.

    Publication: Research - peer-reviewJournal article – Annual report year: 2002

  126. Published

    Orientation and conformation of a lipase at an interface studied by molecular dynamics simulations. / Jensen, Morten Østergaard; Jensen, T.R.; Kjær, Kristian; Bjørnholm, T.; Mouritsen, O.G.; Peters, Günther H.J.

    In: Biophysical Journal, Vol. 83, No. 1, 2002, p. 98-111.

    Publication: Research - peer-reviewJournal article – Annual report year: 2002

  127. Published

    Structure determination of T cell protein-tyrosine phosphatase. / Iversen, L.F.; Møller, K. B.; Pedersen, A.K.; Peters, Günther H.J.; Petersen, A.S.; Andersen, H.S.; Branner, S.; Mortensen, S.B.; Møller, N.P.H.

    In: Journal of Biological Chemistry, Vol. 277, No. 22, 2002, p. 19982-19990.

    Publication: Research - peer-reviewJournal article – Annual report year: 2002

  128. Published

    The dynamic response of a fungal lipase in the presence of charged surfactants. / Peters, Günther H.j.

    In: Colloids and surfaces b-biointerfaces, Vol. 26, No. 1-2, 2002, p. 84-101.

    Publication: Research - peer-reviewJournal article – Annual report year: 2002

  129. 2001
  130. Published
  131. Published

    Dynamics of the Substrate Binding Pocket in the Presence of an Inhibitor Covalently Attached to a Fungal Lipase. / Peters, Günther H.j.; Jensen, Morten Østergaard; Bywater, R. P.

    In: Journal of Biomolecular Structure and Dynamics, Vol. 19, No. 1, 2001, p. 1-14.

    Publication: Research - peer-reviewJournal article – Annual report year: 2001

  132. Published

    Influence of a lipid interface on protein dynamics in a fungal lipase. / Peters, Günther H.j.; Bywater, R. P.

    In: Biophysical Journal, Vol. 81, No. 6, 2001, p. 3052-3065.

    Publication: Research - peer-reviewJournal article – Annual report year: 2001

  133. Published

    Molecular Modelling of Wild-type and Mutant Protein Tyrosine Phosphatases: Residue 259 determines the flexibility of glutamine 262. / Peters, Günther H.j.; Iversen, L. F.; Andersen, H. S.; Olsen, Ove Holger; Møller, N. P. H.

    2001. Poster session presented at 19 th International Conference, Second Messengers and Phosphoproteins, Melbourne, Australia, .

    Publication: ResearchPoster – Annual report year: 2001

  134. Published

    Preferred interfacial orientation and conformation of a lipase investigated by molecular dynamics simulations. / Jensen, Morten Østergaard; Mouritsen, Ole G.; Jensen, T. R.; Kjær, K.; Balashev, K.; Bjørnholm, Thomas; Peters, Günther H.j.

    In: BIOPHYSICAL JOURNAL, Vol. 80, No. 1, 2001, p. 326A-326A .

    Publication: Research - peer-reviewConference article – Annual report year: 2001

  135. Published

    Preferred interfacial orientation and conformation of lipase investigated by molecular dynamics. / Jensen, Morten Østergaard; Mouritsen, Ole G.; Jensen, T. R.; Kjaer, K.; Balashev, K.; Bjørnholm, T.; Peters, Günther H.j.

    2001. Poster session presented at 45th Annual Meeting of the Biophysical Society, Boston, MA, United States.

    Publication: ResearchPoster – Annual report year: 2001

  136. Published

    Steric Hindrance as a Basis for Structure-Based Design of Selective Inhibitors of Protein-Tyrosine Phosphatases. / Iversen, L. F.; Andersen, H. S.; Møller, K. B.; Olsen, Ove Holger; Peters, Günther H.j.; Branner, S.; Mortensen, S. M.; Hansen, T. K.; Lau, J.; Ge, Y.; Holsworth, D. D.; Newman, M. J.; Møller, N. P. H.

    In: Biochemistry - Columbus, Vol. 40, No. 49, 2001, p. 14812-14820.

    Publication: Research - peer-reviewJournal article – Annual report year: 2001

  137. Published

    Structural and Evolutionary Relationships among Protein Tyrosine Phosphatase Domains. / Andersen, J. N.; Mortensen, O. H.; Peters, Günther H.j.; Drake, P. G.; Iversen, L. F.; Olsen, O. H.; Andersen, H. S.; Tonks, N. K.; Møller, N. P. H.

    In: Molecular and Cellular Biology, Vol. 21, No. 21, 2001, p. 7117-7136.

    Publication: Research - peer-reviewJournal article – Annual report year: 2001

  138. Published

    Washing enzymes, snake poison proteins, natural and artificial peptides at interfaces; Selected structural studies using surface sensitive synchrotron X-ray scattering.. / Jensen, T. R.; Kjaer, K.; Rapaport, H.; Pedersen, J. Z.; Leiserowitz, L.; Jensen, Morten Østergaard; Peters, Günther H.j.; Balashev, K.; Reitzel, N.; Svendsen, A.; Bjørnholm, T.

    2001. Poster session presented at 17th Nordic Structural Chemistry Meeting, Aarhus, Denmark.

    Publication: ResearchPoster – Annual report year: 2001

  139. Published

    Zooming-in on the hydrophobic effect: Low density of water in contact with paraffin. / Jensen, T. R.; Jensen, Morten Østergaard; Reitzel, N.; Balashev, K.; Peters, Günther H.j.; Kjaer, K.; Bjørnholm, T.

    2001. Poster session presented at Molecular Liquids: Water at the New Millennium Euroconference, Obernai, France, .

    Publication: ResearchPoster – Annual report year: 2001

  140. 2000
  141. Published

    Influence of surface properties of mix-monolayers on lipolytic hydrolysis. / Peters, Günther H. J.; Dahmen, U.; Brezesinski, G.; Toxvaerd, S.; Möhwald, H.; Svendsen, A.; Kinnunen, P.K.J.

    In: Langmuir, Vol. 16, No. 6, 2000, p. 2779-2788.

    Publication: Research - peer-reviewJournal article – Annual report year: 2000

  142. Published

    Molecular dynamics simulations of protein-tyrosine phosphatase 1B: II. Substrate-enzyme interactions and dynamics. / Peters, Günther H.j.; Frimurer, T. M.; Andersen, J. N.; Olsen, O. H.

    In: Biophysical Journal, Vol. 78, No. 5, 2000, p. 2191-2200.

    Publication: Research - peer-reviewJournal article – Annual report year: 2000

  143. Published

    Residue 259 is a key determinant of substrate specificity of Protein-tyrosine phosphatases 1B and ƒÑ. / Peters, Günther H.j.; Iversen, L. F.; Branner, S.; others, and.

    In: J. Biol. Chem., Vol. 275, 2000, p. 18201.

    Publication: Research - peer-reviewJournal article – Annual report year: 2000

  144. Published

    Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of Protein-tyrosine phosphatase 1B. / Iversen, L. F.; Andersen, H. S.; Branner, S.; Mortensen, S. B.; Peters, Günther H.j.; others, and.

    In: J. Biol. Chem., Vol. 275, 2000, p. 10300.

    Publication: Research - peer-reviewJournal article – Annual report year: 2000

  145. 1999
  146. Published

    Analysis of the dynamics of Rhizomucor miehei lipase at different temperatures. / Peters, Günther H.j.; Toxvaerd, S.; Andersen, K.V.; Svendsen, A.

    In: Journal of Biomolecular Structure and Dynamics, Vol. 16, No. 5, 1999, p. 1003-1018.

    Publication: Research - peer-reviewJournal article – Annual report year: 1999

  147. Published

    Molecular dynamics simulations of protein-tyrosine phosphatase 1B. I. Ligand-induced changes in the protein motions. / Peters, Günther H. J.; Frimurer, T.M.; Andersen, J.N.; Olsen, O.H.

    In: Biophysical Journal, Vol. 77, No. 1, 1999, p. 505-515.

    Publication: Research - peer-reviewJournal article – Annual report year: 1999

  148. 1998
  149. Published

    Active serine involved in the stabilization of the active site loop in the Humicola lanuginosa lipase. / Peters, Günther H.j.; Svendsen, A.; Langberg, H.; Vind, J.; Patkar, S.A.; Toxvaerd, S.; Kinnunen, P.K.J.

    In: Biochemistry, Vol. 37, No. 36, 1998, p. 12375-12383.

    Publication: Research - peer-reviewJournal article – Annual report year: 1998

  150. Published

    Electrostatic evaluation of the signature motif (H/V)CX5R(S/T) in protein-tyrosine phosphatases. / Peters, Günther H.j.; Frimurer, T.M.; Olsen, Ole H.

    In: Biochemistry, Vol. 37, No. 16, 1998, p. 12375-12383.

    Publication: Research - peer-reviewJournal article – Annual report year: 1998

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