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Patrick K. Quoika
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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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last updated on 2024-06-10 21:26 CEST by the dblp team
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