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PUBLICATIONS

 

Scientific publications in the field of biophysical chemistry in peer-reviewed international journals​

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  1. R. Kociurzynski, S. D. Beck, J.-B. Bouhon, W. Römer, V. Knecht, Binding of SV40’s Viral Capsid Protein VP1 to Its Glycosphingolipid Receptor GM1 Induces Negative Membrane Curvature: A Molecular Dynamics Study, Langmuir 2019 35, 9, 3534-3544

  2. V. Knecht, G. Reiter, R. Reiter, Thermodynamic Origin of Multilayer Structures in Langmuir Polymer Films, Langmuir 2017 33, 42, 11399-11405

  3. V. Knecht, G. Reiter, H. Schlaad, R. Reiter, Structure Formation in Langmuir Peptide Films As Revealed from Coarse-Grained Molecular Dynamics Simulations, Langmuir 2017 33, 26, 6492-6502

  4. M. M. Reif, C. Kallies, V. Knecht, Effect of Sodium and Chloride Binding on a Lecithin Bilayer. A Molecular Dynamics Study, Membranes 2017, 7(1), 5

  5. C. Lu, G. Stock, V. Knecht, Mechanisms for allosteric activation of protease DegS by ligand binding and oligomerization as revealed from molecular dynamics simulations, Proteins 2016; 84:1690–1705, Issue 11, Cover Article

  6. C. Lu, V. Knecht, G. Stock, Long-Range Conformational Response of a PDZ Domain to Ligand Binding and Release: A Molecular Dynamics Study, J. Chem. Theory Comput. 2016 12, 2, 870-878

  7. H. Memczak, D. Lauster, P. Kar, S. Di Lella, R. Volkmer, V. Knecht, A. Herrmann, E. Ehrentreich-Förster, F. F. Bier, W. F. M. Stöcklein (2016), Anti-Hemagglutinin Antibody Derived Lead Peptides for Inhibitors of Influenza Virus Binding. PLoS ONE 11(7): e0159074.

  8. S. Buchenberg, V. Knecht, R. Walser, P. Hamm, G. Stock, Long-Range Conformational Transition of a Photoswitchable Allosteric Protein: Molecular Dynamics Simulation Study, J. Phys. Chem. B 2014 118, 47, 13468-13476

  9. T. Pobandt, V. Knecht, Free Energy of Lipid Bilayer Defects Affected by Alzheimer’s Disease-Associated Amyloid-β42 Monomers, J. Phys. Chem. B 2014 118, 13, 3507-3516

  10. A. Grafmüller, V. Knecht, The free energy of nanopores in tense membranes, Phys. Chem. Chem. Phys., 2014, 16, 11270-11278

  11. A. Krukau, V. Knecht, R. Lipowsky, Allosteric control of kinesin's motor domain by tubulin: a molecular dynamics study, Phys. Chem. Chem. Phys., 2014, 16, 6189-6198; with Supplementary Information

  12. M. S. Miettinen, L. Monticelli, P. Nedumpully-Govindan, V. Knecht, Z. Ignatova, Stable Polyglutamine Dimers Can Contain β-Hairpins with Interdigitated Side Chains—But Not α-Helices, β-Nanotubes, β-Pseudohelices, or Steric Zippers, Biophys. J., Volume 106, Issue 8, 15 April 2014, Pages 1721-1728

  13. V. Knecht, B. Klasczyk, Specific Binding of Chloride Ions to Lipid Vesicles and Implications at Molecular Scale, Biophys. J., Volume 104, Issue 4, 19 February 2013, 818-824

  14. V. Knecht, B. Klasczyk, R. Dimova, Macro- versus Microscopic View on the Electrokinetics of a Water–Membrane Interface, Langmuir 2013 29, 25, 7939-7948

  15. Y. G. Smirnova, S. Aeffner, H. J. Risselada, T. Salditt, S. J. Marrink, M. Müller, V. Knecht; Interbilayer repulsion forces between tension-free lipid bilayers from simulation, Soft Matter, 2013, 9, 10705-10718, with Supporting Information

  16. V. L. Shapovalov, H. Möhwald, O. V. Konovalovc, V. Knecht, Negligible water surface charge determined using Kelvin probe and total reflection X-ray fluorescence techniques, Phys. Chem. Chem. Phys., 2013, 15, 13991-13998, Issue 33

  17. A. Grafmüller, R. Lipowsky, V. Knecht, Effect of tension and curvature on the chemical potential of lipids in lipid aggregates, Phys. Chem. Chem. Phys., 2013, 15, 876-881

  18. P. Kar, R. Lipowsky, V. Knecht, Importance of Polar Solvation and Configurational Entropy for Design of Antiretroviral Drugs Targeting HIV-1 Protease, J. Phys. Chem. B 2013 117, 19, 5793-5805

  19. F. Giangreco, E. Yamamoto, Y. Hirano, M. Hodoscek, V. Knecht, M. di Giosia, M. Calvaresi, F. Zerbetto, K. Yasuoka, T. Narumi, M. Yasui, S. Höfinger, Common Force Field Thermodynamics of Cholesterol, Sc. World J., Volume 2013, Article ID 207287, 7 pages

  20. N. Awasthi, T. Ritschel, R. Lipowsky, V. Knecht, Standard Gibbs energies of formation and equilibrium constants from ab-initio calculations: Covalent dimerization of NO2 and synthesis of NH3, J. Chem. Therm., Volume 62, July 2013, 211-221

  21. P. Kar, V. Knecht, Energetics of Mutation-Induced Changes in Potency of Lersivirine against HIV-1 Reverse Transcriptase, J. Phys. Chem. B 2012 116, 22, 6269-6278

  22. P. Kar, V. Knecht, Mutation-Induced Loop Opening and Energetics for Binding of Tamiflu to Influenza N8 Neuraminidase, J. Phys. Chem. B 2012 116, 21, 6137-6149

  23. P. Kar, V. Knecht, Origin of Decrease in Potency of Darunavir and Two Related Antiviral Inhibitors against HIV-2 Compared to HIV-1 Protease, J. Phys. Chem. B 2012 116, 8, 2605-2614

  24. P. Kar, V. Knecht, Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir, J. Comp.-Aid. Mol. Des., 2012, Volume 26, Issue 2, 215–232

  25. M. S. Miettinen, V. Knecht, L. Monticelli, Zoya Ignatova, Assessing Polyglutamine Conformation in the Nucleating Event by Molecular Dynamics Simulations, J. Phys. Chem. B 2012, 116, 34, 10259–10265

  26. C. I. E. von Deuster, V. Knecht, Antimicrobial selectivity based on zwitterionic lipids and underlying balance of interactions, Biochimica et Biophysica Acta (BBA) – Biomembranes Volume 1818, Issue 9, 2012, 2192-2201

  27. R. Hausmann; M. Grepl; V. Knecht; M. Moeller, The glomerular filtration barrier function: new concepts, Curr. Op. Neph. Hypert., July 2012, Volume 21, Issue 4, 441–449

  28. P. Kar, R. Lipowsky, V. Knecht, Importance of Polar Solvation for Cross-Reactivity of Antibody and Its Variants with Steroids, J. Phys. Chem. B 2011 115, 23, 7661-7669

  29. B. Klasczyk, V. Knecht, Validating Affinities for Ion–Lipid Association from Simulation against Experiment, J. Phys. Chem. A 2011 115, 38, 10587-10595

  30. C. I. E. von Deuster, V. Knecht, Competing interactions for antimicrobial selectivity based on charge complementarity, Biochimica et Biophysica Acta (BBA) – Biomembranes, Volume 1808, Issue 12, 2011, 2867-2876

  31. Y. G. Smirnova, S. J. Marrink, R. Lipowsky, V. Knecht, Solvent-Exposed Tails as Prestalk Transition States for Membrane Fusion at Low Hydration, J. Am. Chem. Soc. 2010 132, 19, 6710-6718, with Supporting Information

  32. B. Klasczyk, V. Knecht, R. Lipowsky, R. Dimova, Interactions of Alkali Metal Chlorides with Phosphatidylcholine Vesicles, Langmuir 2010 26, 24, 18951-18958, with Supporting Information

  33. B. Klasczyk, S. Panzner, R. Lipowsky, V. Knecht, Fusion-Relevant Changes in Lipid Shape of Hydrated Cholesterol Hemisuccinate Induced by pH and Counterion Species, J. Phys. Chem. B 2010 114, 46, 14941-14946

  34. B. Klasczyk, V. Knecht, Kirkwood–Buff derived force field for alkali chlorides in simple point charge water, J. Chem. Phys. 132, 024109 (2010)

  35. V. Knecht, Z. A. Levine, P. T. Vernier, Electrophoresis of neutral oil in water, J. Coll. Int. Sc., Volume 352, Issue 2, 2010, 223-231

  36. V. Knecht, Model Amyloid Peptide B18 Monomer and Dimer Studied by Replica Exchange Molecular Dynamics Simulations, J. Phys. Chem. B 2010 114, 39, 12701-12707

  37. M. Kittner, V. Knecht, Disordered versus Fibril-like Amyloid β (25−35) Dimers in Water: Structure and Thermodynamics, J. Phys. Chem. B 2010, 114, 46, 15288–15295

  38. R. Hausmann, C. Kuppe, H. Egger, F. Schweda, V. Knecht, Marlies Elger, Sylvia Menzel, D. Somers, G. Braun, A. Fuss, S. Uhlig, W. Kriz, G. Tanner, J. Floege, M. J. Moeller, Electrical Forces Determine Glomerular Permeability, J. Am. Soc. Neph. 2010, 21 (12) 2053-2058

  39. M. Fuhrmans, V. Knecht, S. J. Marrink, A Single Bicontinuous Cubic Phase Induced by Fusion Peptides, J. Am. Chem. Soc. 2009 131, 26, 9166-9167

  40. V. Knecht, β-Hairpin Folding by a Model Amyloid Peptide in Solution and at an Interface, J. Phys. Chem. B 2008 112, 31, 9476-9483

  41. V. Knecht, H. J. Risselada, A. E. Mark, S. J. Marrink, Electrophoretic mobility does not always reflect the charge on an oil droplet, J. Coll. Int. Sc., Volume 318, Issue 2, 2008, 477-486

  42. V. Knecht, S. J. Marrink, Molecular Dynamics Simulations of Lipid Vesicle Fusion in Atomic Detail, Biophys. J., Volume 92, Issue 12, 2007, 4254-4261

  43. V. Knecht, H. Möhwald, R. Lipowsky, Conformational Diversity of the Fibrillogenic Fusion Peptide B18 in Different Environments from Molecular Dynamics Simulations, J. Phys. Chem. B 2007 111, 16, 4161-4170

  44. V. Knecht, A. E. Mark, S. J. Marrink, Phase Behavior of a Phospholipid/Fatty Acid/Water Mixture Studied in Atomic Detail, J. Am. Chem. Soc. 2006 128, 6, 2030-2034

  45. V. Knecht, M. Müller, M. Bonn, S. J. Marrink, A. E. Mark, Simulation studies of pore and domain formation in a phospholipid monolayer, J. Chem. Phys. 122, 024704 (2005)

  46. V. Knecht, H. Grubmüller, Mechanical Coupling via the Membrane Fusion SNARE Protein Syntaxin 1A: A Molecular Dynamics Study, Biophys. J., Volume 84, Issue 3, 2003, 1527-1547

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Articles in conference proceedings in the field of biophysical chemistry

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  1. Mischa Bonn, Volker Knecht, Michiel Müller , “Non-linear optical probes of biological surfaces”  in:  EPIOPTICS-8,  Proceedings  of  the  International  School  of  Solid  State  Physics, Erice, Italy, 20 – 26 July 2004, A. Cricenti, ed., World Scientific, Singapore, 2006, p. 52

  2. Volker Knecht, Reinhard Lipowsky, “Conformational polymorphism of a fibrillogenic fusion peptide in explicit solvent and at an interface”, in: From Computational Biophysics to Systems Biology (CBSB08), Workshop Proceedings, Neumann Institute for Computing (NIC) Series Volume 40, Jülich, 2008, Ulrich H. E. Hansmann, Jan H. Meinke, Sandipan Mohanty, Walter Nadler, Olav Zimmermann, eds., p. 109

  3. Parimal Kar, Reinhard Lipowsky, Volker Knecht, Energetics of cross-reactivity of Diels-Al-derase antibody 1E9 and its variants with steroids, From Computational Biophysics to Systems Biology (CBSB11) – Celebrating Harold Scheragas 90th Birthday Proceedings, 20 – 22 July 2011, Jülich, Germany; Paolo Carloni, Ulrich H.E. Hansmann, Thomas Lippert, Jan H. Meinke, Sandipan Mohanty, Walter Nadler, Olav Zimmermann, eds.

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Theses
  1. Habilitation thesis, Modeling biomolecular association, Volker Knecht, Potsdam, 2017

  2. PhD thesis, Mechanical coupling via the membrane fusion SNARE protein syntaxin-1A, Volker Knecht, Mensch-und-Buch-Verlag, Berlin, 2003 

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Fiction

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  1. Short story „Mindestens haltbar bis: siehe Bodenprägung“, NEUE LITERARISCHE PFALZ, Journal of the Literary Association of the Palatinate, Spring 1999

  2. Narrative “Nachtdienst”, Schöner Lesen, SuKuLTuR Verlag, 1998

  3. Short story „Fleischliche Begierde“: Literary magazine „Tänzer“, Cologne, August 1998

  4. Poems “So nebenbei“, „Ghetto der Greise“, „Nacht in Montmartre, „Freunde“, „Stacheln“, „Hinter den Kulissen“, and short stories „  Fleischliche Begierde“, „Die Vision“, „Metamorphosen des Bösen“, and „Ihr Zug damals“, in POEPflyHYSICS; Poetry, Prose and Art Journal; Multilingual, Multicultural, Interdisciplinary Web Edition, Editor: Steven Duplij, 1996

  5. Short story „Ihr Zug damals“: Literary magazine DER KRÄHENDE HAHN, published by Eckhardt Stütze, Hildesheim, June 1996; as well as in the newspaper DIE RHEINPFALZ, Local section Kaiserslautern, August 1996, as part of an author competition

  6. Fantasy short story „Metamorphosen des Bösen“: Magazine THE TRIEBSTAU, published by the AStA Cultural Department of the University of Kaiserslautern, November 1992; as well as a contribution to fairy tale antology „Am Kamin erzählt“, published by Lothar Klein, Klein Verlag, Hochspeyer, October 1997

  7. Poem „Gruppe in Seniorenheim“: In AKUT, program overview of the AStA Cultural Department of the University of Kaiserslautern, November 1991

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