Fold stability during endolysosomal acidification is a key factor for allergenicity and immunogenicity of the major birch pollen allergen von Machado, Yoan, MSc, Freier, Regina, MSc, Scheiblhofer, Sandra, PhD, Thalhamer, Theresa, PhD, Mayr, Melissa, BSc, Briza, Peter, PhD, Grutsch, Sarina, PhD, Ahammer, Linda, MSc, Fuchs, Julian E., PhD, Wallnoefer, Hannes G., PhD, Isakovic, Almedina, MSc, Kohlbauer, Vera, MSc, Hinterholzer, Arthur, BSc, Steiner, Markus, MSc, Danzer, Martin, MSc, Horejs-Hoeck, Jutta, PhD, Ferreira, Fatima, PhD, Liedl, Klaus R., PhD, Tollinger, Martin, PhD, Lackner, Peter, PhD, Johnson, Christopher M., PhD, Brandstetter, Hans, PhD, Thalhamer, Josef, PhD, Weiss, Richard, PhD

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Cleavage entropy as quantitative measure of protease specificity von Fuchs, Julian E, von Grafenstein, Susanne, Huber, Roland G, Margreiter, Michael A, Spitzer, Gudrun M, Wallnoefer, Hannes G, Liedl, Klaus R

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Dynamic regulation of phenylalanine hydroxylase by simulated redox manipulation von Fuchs, Julian E, Huber, Roland G, von Grafenstein, Susanne, Wallnoefer, Hannes G, Spitzer, Gudrun M, Fuchs, Dietmar, Liedl, Klaus R

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A challenging system: Free energy prediction for factor Xa von Wallnoefer, Hannes G., Liedl, Klaus R., Fox, Thomas

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Dispersion dominated halogen-π interactions: energies and locations of minima von Wallnoefer, Hannes G, Fox, Thomas, Liedl, Klaus R, Tautermann, Christofer S

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Stabilizing of a Globular Protein by a Highly Complex Water Network: A Molecular Dynamics Simulation Study on Factor Xa von Wallnoefer, Hannes G, Handschuh, Sandra, Liedl, Klaus R, Fox, Thomas

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Backbone Flexibility Controls the Activity and Specificity of a Protein−Protein Interface: Specificity in Snake Venom Metalloproteases von Wallnoefer, Hannes G, Lingott, Torsten, Gutiérrez, José María, Merfort, Irmgard, Liedl, Klaus R

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Specificity of a protein-protein interface: Local dynamics direct substrate recognition of effector caspases von Fuchs, Julian E., von Grafenstein, Susanne, Huber, Roland G., Wallnoefer, Hannes G., Liedl, Klaus R.

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Entropy from State Probabilities: Hydration Entropy of Cations von Huber, Roland G., Fuchs, Julian E., von Grafenstein, Susanne, Laner, Monika, Wallnoefer, Hannes G., Abdelkader, Nejma, Kroemer, Romano T., Liedl, Klaus R.

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A GRID-Derived Water Network Stabilizes Molecular Dynamics Computer Simulations of a Protease von Wallnoefer, Hannes G, Liedl, Klaus R, Fox, Thomas

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Backbone flexibility controls the activity and specificity of a protein-protein interface – specificity in snake venom metalloproteases (SVMPs) von Wallnoefer, Hannes G, Lingott, Torsten, Gutiérrez, José María, Merfort, Irmgard, Liedl, Klaus R

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First Principles-Based Calculations of Free Energy of Binding: Application to Ligand Binding in a Self-Assembling Superstructure von Fox, Stephen, Wallnoefer, Hannes G, Fox, Thomas, Tautermann, Christofer S, Skylaris, Chris-Kriton

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Specificity of a protein-protein interface: Local dynamics direct substrate recognition of effector caspases von Fuchs, Julian E., von Grafenstein, Susanne, Huber, Roland G., Wallnoefer, Hannes G., Liedl, Klaus R.

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Cleavage Entropy as Quantitative Measure of Protease Specificity: e1003007 von Fuchs, Julian E, Grafenstein, Susanne von, Huber, Roland G, Margreiter, Michael A, Spitzer, Gudrun M, Wallnoefer, Hannes G, Liedl, Klaus R

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Dispersion dominated halogen-[small pi] interactions: energies and locations of minima von Wallnoefer, Hannes G, Fox, Thomas, Liedl, Klaus R, Tautermann, Christofer S

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