Zum Inhalt springen

de
en

Menü

Dr. rer. nat. Patrick Quoika

Foto von Patrick Quoika

Technische Universität München

Lehrstuhl für Theoretische Biophysik - Molekulardynamik (Prof. Zacharias)

Postadresse

Postal:
Ernst-Otto-Fischer-Str. 8
85748 Garching b. München

Tel.: +49 (89) 289 - 13766
Fax: fax +49 (89) 289 - 12444
Raum: 5415.EG.048
Homepage: https://www.groups.ph.tum.de/t38/home/
patrick.quoika@tum.de

Research Interests

Molecular Dynamics and Monte Carlo simulations
Conformational transitions of thermosensitive polymers
Enhanced sampling techniques
Statistical analysis and Machine Learning
Biomolecular interfaces: Protein-protein, protein-RNA

Publications

Year	Authors, Title, Journal
2022	Dinu, D. F., Bartl, P., Quoika, P. K., Podewitz, M., Liedl, K. R., Grothe, H., & Loerting, T. Increase of Radiative Forcing through Midinfrared Absorption by Stable CO₂ Dimers? The Journal of Physical Chemistry A, 126(19), 2966–2975.(https://doi.org/10.1021/acs.jpca.2c00857)
2022	Fernández-Quintero, M. L., Quoika, P. K., Wedl, F. S., Seidler, C. A., Kroell, K. B., Loeffler, J. R., … Liedl, K. R. Comparing Antibody Interfaces to Inform Rational Design of New Antibody Formats. Frontiers in Molecular Biosciences, 9. (https://dx.doi.org/10.3389%2Ffmolb.2022.812750)
2021	Kraml, J., Hofer, F., Quoika, P. K., Kamenik, A. S., & Liedl, K. R. X-Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy Journal of Chemical Information and Modeling, 61(4), 1533–1538. (https://doi.org/10.1021/acs.jcim.0c01375)
2021	Loeffler, J. R., Fernández-Quintero, M. L., Waibl, F., Quoika, P. K., Hofer, F., Schauperl, M., & Liedl, K. R. Conformational Shifts of Stacked Heteroaromatics: Vacuum vs. Water Studied by Machine Learning Frontiers in Chemistry, 9, 179. (https://doi.org/10.3389/fchem.2021.641610)
2021	Fernández-Quintero, M. L., Seidler, C. A., Quoika, P. K., & Liedl, K. R. Shark Antibody Variable Domains Rigidify Upon Affinity Maturation—Understanding the Potential of Shark Immunoglobulins as Therapeutics Frontiers in Molecular Biosciences, 8. (https://doi.org/10.3389/fmolb.2021.639166)
2021	Ramos, M. C., Quoika, P. K., Horta, V. A. C., Dias, D. M., Costa, E. G., Do Amaral, J. L. M., … Horta, B. A. C. PyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules Journal of Chemical Information and Modeling, 61(4), 1539–1544. (https://doi.org/10.1021/acs.jcim.0c01438)
2021	Quoika, P. K., Fernández-Quintero, M. L., Podewitz, M., Hofer, F., & Liedl, K. R. Implementation of the Freely Jointed Chain Model to Assess Kinetics and Thermodynamics of Thermosensitive Coil-Globule Transition by Markov States Journal of Physical Chemistry B, 125(18), 4898–4909 (https://doi.org/10.1021/acs.jpcb.1c01946)
2021	Fernández-Quintero, M. L., Kroell, K. B., Bacher, L. M., Loeffler, J. R., Quoika, P. K., Georges, G., … Liedl, K. R. Germline-Dependent Antibody Paratope States and Pairing Specific VH-VL Interface Dynamics. Frontiers in Immunology, 12, 2741. (https://doi.org/10.3389/fimmu.2021.675655)
2020	Jost Lopez, A., Quoika, P. K., Linke, M., Hummer, G., & Köfinger, J. Quantifying Protein-Protein Interactions in Molecular Simulations Journal of Physical Chemistry B, 124(23), 4673–4685. (https://doi.org/10.1021/acs.jpcb.9b11802)
2020	Kamenik, A. S., Kraml, J., Hofer, F., Waibl, F., Quoika, P. K., Kahler, U., … Liedl, K. R. Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments Journal of Chemical Information and Modeling, 60(7), 3508–3517. (https://doi.org/10.1021/acs.jcim.0c00280)
2020	Quoika, P. K., Podewitz, M., Wang, Y., Kamenik, A. S., Loeffler, J. R., & Liedl, K. R. Thermosensitive Hydration of Four Acrylamide-Based Polymers in Coil and Globule Conformations Journal of Physical Chemistry B, 124(43), 9745–9756. (https://doi.org/10.1021/acs.jpcb.0c07232)
2020	Fernández-Quintero, M. L., Kroell, K. B., Heiss, M. C., Loeffler, J. R., Quoika, P. K., Waibl, F., … Liedl, K. R. Surprisingly Fast Interface and Elbow Angle Dynamics of Antigen-Binding Fragments Frontiers in Molecular Biosciences, 7, 339. (https://doi.org/10.3389/fmolb.2020.609088)
2019	Podewitz, M., Wang, Y., Quoika, P. K., Loeffler, J. R., Schauperl, M., & Liedl, K. R. Coil-Globule Transition Thermodynamics of Poly(N-isopropylacrylamide). Journal of Physical Chemistry B, 123(41), 8838–8847. (https://doi.org/10.1021/acs.jpcb.9b06125)

-