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Journal of Biomolecular Structure & Dynamics
|
December 7, 2017
An unexpected switch in peptide binding mode: from simulation to substrate specificity
Ursula Kahler, Julian E Fuchs, Peter Goettig, et al.
Scientific Reports
|
January 25, 2020
Sodium-induced population shift drives activation of thrombin
Ursula Kahler, Anna S Kamenik, Johannes Kraml, et al.
Journal of Chemical Theory and Computation
|
June 21, 2016
Localization of Millisecond Dynamics: Dihedral Entropy from Accelerated MD
Anna S Kamenik, Ursula Kahler, Julian E Fuchs, et al.
Biophysical Journal
|
July 23, 2020
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.
Journal of Chemical Information and Modeling
|
April 30, 2020
Catalytic Site p<i>K</i><sub>a</sub> Values of Aspartic, Cysteine, and Serine Proteases: Constant pH MD Simulations
Florian Hofer, Johannes Kraml, Ursula Kahler, et al.
The Journal of Chemical Physics
|
November 14, 2020
Polarizable and non-polarizable force fields: Protein folding, unfolding, and misfolding
Anna S Kamenik, Philip H Handle, Florian Hofer, et al.
Journal of Chemical Information and Modeling
|
July 9, 2020
Solvation Thermodynamics in Different Solvents: Water-Chloroform Partition Coefficients from Grid Inhomogeneous Solvation Theory
Johannes Kraml, Florian Hofer, Anna S Kamenik, et al.
Angewandte Chemie (International Ed. in English)
|
July 8, 2025
Regioselective Hydration of Terpenes with Cofactor-Independent Carotenoid 1,2-Hydratase
Philip Horz, Natalie Härterich, Andreas Schneider, et al.
Frontiers in Immunology
|
January 23, 2019
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.
Journal of Chemical Information and Modeling
|
June 20, 2020
Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments
Anna S Kamenik, Johannes Kraml, Florian Hofer, et al.
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of 2
Search research articles
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Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Journal of Biomolecular Structure & Dynamics
|
December 7, 2017
An unexpected switch in peptide binding mode: from simulation to substrate specificity
Ursula Kahler, Julian E Fuchs, Peter Goettig, et al.
Scientific Reports
|
January 25, 2020
Sodium-induced population shift drives activation of thrombin
Ursula Kahler, Anna S Kamenik, Johannes Kraml, et al.
Journal of Chemical Theory and Computation
|
June 21, 2016
Localization of Millisecond Dynamics: Dihedral Entropy from Accelerated MD
Anna S Kamenik, Ursula Kahler, Julian E Fuchs, et al.
Biophysical Journal
|
July 23, 2020
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.
Journal of Chemical Information and Modeling
|
April 30, 2020
Catalytic Site p<i>K</i><sub>a</sub> Values of Aspartic, Cysteine, and Serine Proteases: Constant pH MD Simulations
Florian Hofer, Johannes Kraml, Ursula Kahler, et al.
The Journal of Chemical Physics
|
November 14, 2020
Polarizable and non-polarizable force fields: Protein folding, unfolding, and misfolding
Anna S Kamenik, Philip H Handle, Florian Hofer, et al.
Journal of Chemical Information and Modeling
|
July 9, 2020
Solvation Thermodynamics in Different Solvents: Water-Chloroform Partition Coefficients from Grid Inhomogeneous Solvation Theory
Johannes Kraml, Florian Hofer, Anna S Kamenik, et al.
Angewandte Chemie (International Ed. in English)
|
July 8, 2025
Regioselective Hydration of Terpenes with Cofactor-Independent Carotenoid 1,2-Hydratase
Philip Horz, Natalie Härterich, Andreas Schneider, et al.
Frontiers in Immunology
|
January 23, 2019
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.
Journal of Chemical Information and Modeling
|
June 20, 2020
Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments
Anna S Kamenik, Johannes Kraml, Florian Hofer, et al.
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of 2