Sodium-induced population shift drives activation of thrombin

od Kahler, Ursula, Kamenik, Anna S., Kraml, Johannes, Liedl, Klaus R.
Izdano u Sci Rep (2020)

Localization of Millisecond Dynamics: Dihedral Entropy from Accelerated MD

od Kamenik, Anna S., Kahler, Ursula, Fuchs, Julian E., Liedl, Klaus R.
Izdano u J Chem Theory Comput (2016)

Dynamics Rationalize Proteolytic Susceptibility of the Major Birch Pollen Allergen Bet v 1

od Kamenik, Anna S., Hofer, Florian, Handle, Philip H., Liedl, Klaus R.
Izdano u Front Mol Biosci (2020)

Structure of the Major Apple Allergen Mal d 1

od Ahammer, Linda, Grutsch, Sarina, Kamenik, Anna S., Liedl, Klaus R., Tollinger, Martin
Izdano u J Agric Food Chem (2017)

pH-Dependent Protonation of the Phl p 6 Pollen Allergen Studied by NMR and cpH-aMD

od Hofer, Florian, Dietrich, Valentin, Kamenik, Anna S., Tollinger, Martin, Liedl, Klaus R.
Izdano u J Chem Theory Comput (2019)

Solvation Free Energy as a Measure of Hydrophobicity: Application to Serine Protease Binding Interfaces

od Kraml, Johannes, Kamenik, Anna S., Waibl, Franz, Schauperl, Michael, Liedl, Klaus R.
Izdano u J Chem Theory Comput (2019)

Catalytic Site pK(a) Values of Aspartic, Cysteine, and Serine Proteases: Constant pH MD Simulations

od Hofer, Florian, Kraml, Johannes, Kahler, Ursula, Kamenik, Anna S., Liedl, Klaus R.
Izdano u J Chem Inf Model (2020)

Protein-Protein Binding as a Two-Step Mechanism: Preselection of Encounter Poses during the Binding of BPTI and Trypsin

od Kahler, Ursula, Kamenik, Anna S., Waibl, Franz, Kraml, Johannes, Liedl, Klaus R.
Izdano u Biophys J (2020)

Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization

od Kamenik, Anna S., Lessel, Uta, Fuchs, Julian E., Fox, Thomas, Liedl, Klaus R.
Izdano u J Chem Inf Model (2018)

X-Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy

od Kraml, Johannes, Hofer, Florian, Quoika, Patrick K., Kamenik, Anna S., Liedl, Klaus R.
Izdano u J Chem Inf Model (2021)

pH-Induced Local Unfolding of the Phl p 6 Pollen Allergen From cpH-MD

od Hofer, Florian, Kamenik, Anna S., Fernández-Quintero, Monica L., Kraml, Johannes, Liedl, Klaus R.
Izdano u Front Mol Biosci (2021)

Conformational Flexibility Differentiates Naturally Occurring Bet v 1 Isoforms

od Grutsch, Sarina, Fuchs, Julian E., Ahammer, Linda, Kamenik, Anna S., Liedl, Klaus R., Tollinger, Martin
Izdano u Int J Mol Sci (2017)

Solvation Thermodynamics in Different Solvents: Water–Chloroform Partition Coefficients from Grid Inhomogeneous Solvation Theory

od Kraml, Johannes, Hofer, Florian, Kamenik, Anna S., Waibl, Franz, Kahler, Ursula, Schauperl, Michael, Liedl, Klaus R.
Izdano u J Chem Inf Model (2020)

Thermosensitive Hydration of Four Acrylamide-Based Polymers in Coil and Globule Conformations

od Quoika, Patrick K., Podewitz, Maren, Wang, Yin, Kamenik, Anna S., Loeffler, Johannes R., Liedl, Klaus R.
Izdano u J Phys Chem B (2020)

Characterizing the Diversity of the CDR-H3 Loop Conformational Ensembles in Relationship to Antibody Binding Properties

od Fernández-Quintero, Monica L., Loeffler, Johannes R., Kraml, Johannes, Kahler, Ursula, Kamenik, Anna S., Liedl, Klaus R.
Izdano u Front Immunol (2019)

Conformational selection of allergen-antibody complexes—surface plasticity of paratopes and epitopes

od Fernández-Quintero, Monica L, Loeffler, Johannes R, Waibl, Franz, Kamenik, Anna S, Hofer, Florian, Liedl, Klaus R
Izdano u Protein Eng Des Sel (2019)

Structure and Zeatin Binding of the Peach Allergen Pru p 1

od Eidelpes, Reiner, Hofer, Florian, Röck, Manuel, Führer, Sebastian, Kamenik, Anna Sophia, Liedl, Klaus R., Tollinger, Martin
Izdano u J Agric Food Chem (2021)

Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens

od Führer, Sebastian, Kamenik, Anna S., Zeindl, Ricarda, Nothegger, Bettina, Hofer, Florian, Reider, Norbert, Liedl, Klaus R., Tollinger, Martin
Izdano u Sci Rep (2021)

Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments

od Kamenik, Anna S., Kraml, Johannes, Hofer, Florian, Waibl, Franz, Quoika, Patrick K., Kahler, Ursula, Schauperl, Michael, Liedl, Klaus R.
Izdano u J Chem Inf Model (2020)

Conformational Ensembles of Antibodies Determine Their Hydrophobicity

od Waibl, Franz, Fernández-Quintero, Monica L., Kamenik, Anna S., Kraml, Johannes, Hofer, Florian, Kettenberger, Hubert, Georges, Guy, Liedl, Klaus R.
Izdano u Biophys J (2021)