Ursula Kahler

Catalytic Site p<i>K</i>_a Values of Aspartic, Cysteine, and Serine Proteases: Constant pH MD Simulations

Florian Hofer, Johannes Kraml, Ursula Kahler et al. · Journal of Chemical Information and Modeling · 2020 · 96 citations · Full text

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

Monica L. Fernández‐Quintero, Johannes R. Loeffler, Johannes Kraml et al. · Frontiers in Immunology · 2019 · 95 citations · Full text

Protein Assembly, Protein Folding, Conformational Ensembles +15

Polarizable and non-polarizable force fields: Protein folding, unfolding, and misfolding

Anna S. Kamenik, Philip H. Handle, Florian Hofer et al. · The Journal of Chemical Physics · 2020 · 49 citations · Full text

Protein Assembly, Molecular Biology, Protein Refolding +19

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

Ursula Kahler, Anna S. Kamenik, Franz Waibl et al. · Biophysical Journal · 2020 · 30 citations · Full text

Protein Assembly, Molecular Biology, Encounter Poses +21

Dynamics Govern Specificity of a Protein-Protein Interface: Substrate Recognition by Thrombin

Julian E. Fuchs, Roland G. Huber, Birgit J. Waldner et al. · PLoS ONE · 2015 · 25 citations · Full text

Protein Assembly, Molecular Biology, Molecular Dynamics +18