Scientific Publications of the Institute

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Journal Article (35)

2016
Journal Article
Memczak, H.; Lauster, D.; Kar, P.; Di Lella, S.; Volkmer, R.; Knecht, V.; Herrmann, A.; Ehrentreich-Förster, E.; Bier, F. F.; Stöcklein, W. F. M.: Anti-hemagglutinin antibody derived lead peptides for inhibitors of influenza virus binding. PLoS One 11 (7), e0159074 (2016)
2014
Journal Article
Krukau, A.; Knecht, V.; Lipowsky, R.: Allosteric control of kinesin's motor domain by tubulin: a molecular dynamics study. Physical Chemistry Chemical Physics 16 (13), pp. 6189 - 6198 (2014)
Journal Article
Miettinen, M. S.; Monticelli, L.; Nedumpully-Govindan, P.; Knecht, V.; Ignatova, Z.: Stable polyglutamine dimers can contain β-hairpins with interdigitated side chains but not α-helices, β-nanotubes, β-pseudohelices, or steric zippers. Biophysical Journal 106 (8), pp. 1721 - 1728 (2014)
Journal Article
Pobandt, T.; Knecht, V.: Free energy of lipid bilayer defects affected by Alzheimer's disease-associated amyloid-ß42 monomers. The Journal of Physical Chemistry B 118 (13), pp. 3507 - 3516 (2014)
2013
Journal Article
Awasthi, N.; Ritschel, T.; Lipowsky, R.; Knecht, V.: Standard Gibbs energies of formation and equilibrium constants from ab-initio calculations: covalent dimerization of NO2 and synthesis of NH3. The Journal of Chemical Thermodynamics 62, pp. 211 - 221 (2013)
Journal Article
Grafmüller, A.; Lipowsky, R.; Knecht, V.: Effect of tension and curvature on the chemical potential of lipids in lipid aggregates. Physical Chemistry Chemical Physics 15 (3), pp. 876 - 881 (2013)
Journal Article
Kar, P.; Lipowsky, R.; Knecht, V.: Importance of polar solvation and configurational entropy for design of antiretroviral drugs targeting HIV-1 protease. The Journal of Physical Chemistry B 117 (19), pp. 5793 - 5805 (2013)
Journal Article
Knecht, V.; Klasczyk, B.: Specific binding of chloride ions to lipid vesicles and implications at molecular scale. Biophysical Journal 104 (4), pp. 818 - 824 (2013)
Journal Article
Knecht, V.; Klasczyk, B.; Dimova, R.: Macro- versus microscopic view on the electrokinetics of a water-membrane interface. Langmuir 29 (25), pp. 7939 - 7948 (2013)
Journal Article
Shapovalov, V. L.; Möhwald, H.; Konovalov, O. V.; Knecht, V.: Negligible water surface charge determined using Kelvin probe and total reflection X-ray fluorescence techniques. Physical Chemistry Chemical Physics 15 (33), pp. 13991 - 13998 (2013)
Journal Article
Smirnova, Y. G.; Aeffner, S.; Risselada, H. J.; Salditt, T.; Marrink, S. J.; Müller, M.; Knecht, V.: Interbilayer repulsion forces between tension-free lipid bilayers from simulation. Soft Matter 9 (45), pp. 10705 - 10718 (2013)
2012
Journal Article
Hausmann, R.; Grepl, M.; Knecht, V.; Moeller, M. J.: The glomerular filtration barrier function: new concepts. Current Opinion in Nephrology and Hypertension 21 (4), pp. 441 - 449 (2012)
Journal Article
Kar, P.; Knecht, V.: Energetics of mutation-induced changes in potency of lersivirine against HIV-1 reverse transcriptase. Journal of Physical Chemistry B 116 (22), pp. 6269 - 6278 (2012)
Journal Article
Kar, P.; Knecht, V.: Mutation-induced loop opening and energetics for binding of tamiflu to influenza N8 neuraminidase. Journal of Physical Chemistry B 116 (21), pp. 6137 - 6149 (2012)
Journal Article
Kar, P.; Knecht, V.: Origin of decrease in potency of darunavir and two related antiviral inhibitors against HIV-2 compared to HIV-1 protease. Journal of Physical Chemistry B 116 (8), pp. 2605 - 2614 (2012)
Journal Article
Kar, P.; Knecht, V.: Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir. Journal of Computer-Aided Molecular Design 26 (2), pp. 215 - 232 (2012)
Journal Article
Miettinen, M. S.; Knecht, V.; Monticelli, L.; Ignatova, Z.: Assessing polyglutamine conformation in the nucleating event by molecular dynamics simulations. The Journal of Physical Chemistry B 116 (34), pp. 10259 - 10265 (2012)
Journal Article
von Deuster, C. I. E.; Knecht, V.: Antimicrobial selectivity based on zwitterionic lipids and underlying balance of interactions. Biochimica et Biophysica Acta: BBA 1818 (9), pp. 2192 - 2201 (2012)
2011
Journal Article
Kar, P.; Lipowsky, R.; Knecht, V.: Importance of polar solvation for cross-reactivity of antibody and its variants with steroids. The Journal of Physical Chemistry B 115 (23), pp. 7661 - 7669 (2011)
Journal Article
Klasczyk, B.; Knecht, V.: Validating affinities for ion-lipid association from simulation against experiment. Journal of Physical Chemistry A 115 (38), pp. 10587 - 10595 (2011)
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