| Coil–Globule Transition Thermodynamics of Poly(N-isopropylacrylamide) M Podewitz, Y Wang, PK Quoika, JR Loeffler, M Schauperl, KR Liedl The Journal of Physical Chemistry B 123 (41), 8838-8847, 2019 | 56 | 2019 |
| Quantifying Protein–Protein Interactions in Molecular Simulations A Jost Lopez, PK Quoika, M Linke, G Hummer, J Köfinger The Journal of Physical Chemistry B 124 (23), 4673-4685, 2020 | 36 | 2020 |
| Challenges in antibody structure prediction ML Fernández-Quintero, J Kokot, F Waibl, ALM Fischer, PK Quoika, ... Mabs 15 (1), 2175319, 2023 | 19 | 2023 |
| Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments AS Kamenik, J Kraml, F Hofer, F Waibl, PK Quoika, U Kahler, M Schauperl, ... Journal of chemical information and modeling 60 (7), 3508-3517, 2020 | 19 | 2020 |
| Surprisingly fast interface and elbow angle dynamics of antigen-binding fragments ML Fernández-Quintero, KB Kröll, MC Heiss, JR Loeffler, PK Quoika, ... Frontiers in Molecular Biosciences 7, 339, 2020 | 17 | 2020 |
| X-Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy J Kraml, F Hofer, PK Quoika, AS Kamenik, KR Liedl Journal of Chemical Information and Modeling 61 (4), 1533-1538, 2021 | 16 | 2021 |
| Germline-Dependent Antibody Paratope States and Pairing Specific VH-VL Interface Dynamics ML Fernández-Quintero, KB Kroell, LM Bacher, JR Loeffler, PK Quoika, ... Frontiers in Immunology 12, 675655, 2021 | 13 | 2021 |
| Thermosensitive Hydration of Four Acrylamide-Based Polymers in Coil and Globule Conformations PK Quoika, M Podewitz, Y Wang, AS Kamenik, JR Loeffler, KR Liedl The Journal of Physical Chemistry B 124 (43), 9745-9756, 2020 | 12 | 2020 |
| pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules MC Ramos, PK Quoika, VAC Horta, DM Dias, EG Costa, JLM do Amaral, ... Journal of Chemical Information and Modeling 61 (4), 1539-1544, 2021 | 11 | 2021 |
| Shark Antibody Variable Domains Rigidify Upon Affinity Maturation—Understanding the Potential of Shark Immunoglobulins as Therapeutics ML Fernández-Quintero, CA Seidler, PK Quoika, KR Liedl Frontiers in molecular biosciences 8, 639166, 2021 | 10 | 2021 |
| Increase of Radiative Forcing through Midinfrared Absorption by Stable CO2 Dimers? DF Dinu, P Bartl, PK Quoika, M Podewitz, KR Liedl, H Grothe, T Loerting The Journal of Physical Chemistry A 126 (19), 2966-2975, 2022 | 4 | 2022 |
| Comparing antibody interfaces to inform rational design of new antibody formats ML Fernández-Quintero, PK Quoika, FS Wedl, CA Seidler, KB Kroell, ... Frontiers in Molecular Biosciences 9, 812750, 2022 | 4 | 2022 |
| Implementation of the Freely Jointed Chain Model to Assess Kinetics and Thermodynamics of Thermosensitive Coil–Globule Transition by Markov States PK Quoika, ML Fernández-Quintero, M Podewitz, F Hofer, KR Liedl The Journal of Physical Chemistry B 125 (18), 4898-4909, 2021 | 4 | 2021 |
| Water model determines thermosensitive and physicochemical properties of poly (N-isopropylacrylamide) in molecular simulations PK Quoika, AS Kamenik, ML Fernández-Quintero, M Zacharias, KR Liedl Frontiers in Materials 10, 1005781, 2023 | 3 | 2023 |
| Bispecific antibodies—effects of point mutations on CH3-CH3 interface stability ND Pomarici, ML Fernández-Quintero, PK Quoika, F Waibl, A Bujotzek, ... Protein Engineering, Design and Selection 35, gzac012, 2022 | 3 | 2022 |
| Structural mechanism of Fab domain dissociation as a measure of interface stability ND Pomarici, F Waibl, PK Quoika, A Bujotzek, G Georges, ... Journal of Computer-Aided Molecular Design 37 (4), 201-215, 2023 | 2 | 2023 |
| Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutions M Linke, PK Quoika, B Bramas, J Köfinger, G Hummer The Journal of Chemical Physics 157 (20), 2022 | 2 | 2022 |
| Conformational shifts of stacked heteroaromatics: vacuum vs. water studied by machine learning JR Loeffler, ML Fernández-Quintero, F Waibl, PK Quoika, F Hofer, ... Frontiers in Chemistry 9, 641610, 2021 | 2 | 2021 |
| Learning high-dimensional reaction coordinates of fast-folding proteins using State Predictive Information Bottleneck and Bias Exchange Metadynamics N Pomarici, S Mehdi, P Quoika, S Lee, JR Loeffler, K Liedl, P Tiwary, ... bioRxiv, 2023.07. 24.550401, 2023 | 1 | 2023 |
| Structure-Based Protein Assembly Simulations Including Various Binding Sites and Conformations LJ Walter, PK Quoika, M Zacharias Journal of Chemical Information and Modeling, 2024 | | 2024 |
Klaus LiedlProfessor for Theoretical Chemistry, University of InnsbruckVerified email at uibk.ac.at
