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2020 – today
- 2024
[j5]Luis J. Walter
, Patrick K. Quoika, Martin Zacharias:
Structure-Based Protein Assembly Simulations Including Various Binding Sites and Conformations. J. Chem. Inf. Model. 64(8): 3465-3476 (2024)- 2023
- [j4]Nancy D. Pomarici, Franz Waibl, Patrick K. Quoika, Alexander Bujotzek, Guy Georges, Monica L. Fernández-Quintero, Klaus R. Liedl:
Structural mechanism of Fab domain dissociation as a measure of interface stability. J. Comput. Aided Mol. Des. 37(4): 201-215 (2023) - 2021
- [j3]Johannes Kraml, Florian Hofer, Patrick K. Quoika, Anna S. Kamenik, Klaus R. Liedl:
X-Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy. J. Chem. Inf. Model. 61(4): 1533-1538 (2021) - [j2]Mayk C. Ramos, Patrick K. Quoika, Vitor A. C. Horta, Douglas Mota Dias, Elan G. Costa, Jorge Luís Machado do Amaral, Luigi M. Ribeiro, Klaus R. Liedl, Bruno A. C. Horta:
pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules. J. Chem. Inf. Model. 61(4): 1539-1544 (2021) - 2020
- [j1]Anna S. Kamenik, Johannes Kraml, Florian Hofer, Franz Waibl, Patrick K. Quoika, Ursula Kahler, Michael Schauperl, Klaus R. Liedl:
Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments. J. Chem. Inf. Model. 60(7): 3508-3517 (2020)
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