| Characterizing the diversity of the CDR-H3 loop conformational ensembles in relationship to antibody binding properties ML Fernández-Quintero, JR Loeffler, J Kraml, U Kahler, AS Kamenik, ... Frontiers in immunology 9, 434139, 2019 | 72 | 2019 |
| 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 |
| Local and global rigidification upon antibody affinity maturation ML Fernández-Quintero, JR Loeffler, LM Bacher, F Waibl, CA Seidler, ... Frontiers in molecular biosciences 7, 182, 2020 | 33 | 2020 |
| The fumarylacetoacetate hydrolase (FAH) superfamily of enzymes: multifunctional enzymes from microbes to mitochondria AKH Weiss, JR Loeffler, KR Liedl, H Gstach, P Jansen-Dürr Biochemical Society Transactions 46 (2), 295-309, 2018 | 33 | 2018 |
| T-cell receptor CDR3 loop conformations in solution shift the relative Vα-Vβ domain distributions ML Fernández-Quintero, ND Pomarici, JR Loeffler, CA Seidler, KR Liedl Frontiers in Immunology 11, 545327, 2020 | 24 | 2020 |
| Transitions of CDR-L3 loop canonical cluster conformations on the micro-to-millisecond timescale ML Fernández-Quintero, BA Math, JR Loeffler, KR Liedl Frontiers in immunology 10, 494815, 2019 | 18 | 2019 |
| Conformational selection of allergen-antibody complexes—surface plasticity of paratopes and epitopes ML Fernández-Quintero, JR Loeffler, F Waibl, AS Kamenik, F Hofer, ... Protein Engineering, Design and Selection 32 (11), 513-523, 2019 | 18 | 2019 |
| Surprisingly fast interface and elbow angle dynamics of antigen-binding fragments ML Fernández-Quintero, KB Kroell, MC Heiss, JR Loeffler, PK Quoika, ... Frontiers in Molecular Biosciences 7, 609088, 2020 | 17 | 2020 |
| 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 |
| Structural basis for the bi-functionality of human oxaloacetate decarboxylase FAHD1 AKH Weiss, A Naschberger, JR Loeffler, H Gstach, MW Bowler, ... Biochemical Journal 475 (22), 3561-3576, 2018 | 13 | 2018 |
| 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 |
| STACKED – Solvation Theory of Aromatic Complexes as Key for Estimating Drug Binding JR Loeffler, ML Fernández-Quintero, M Schauperl, KR Liedl Journal of Chemical Information and Modeling 60 (4), 2304-2313, 2020 | 12 | 2020 |
| Hydration of Aromatic Heterocycles as an Adversary of π-Stacking JR Loeffler, M Schauperl, KR Liedl Journal of Chemical Information and Modeling 59 (10), 4209-4219, 2019 | 11 | 2019 |
| Paratope states in solution improve structure prediction and docking ML Fernandez-Quintero, A Vangone, JR Loeffler, CA Seidler, G Georges, ... Structure 30 (3), 430-440. e3, 2022 | 10 | 2022 |
| Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design KRL JR Loeffler, ESR Ehmki, JE Fuchs Journal of computer-aided molecular design 30 (5), 391–400, 2016 | 10 | 2016 |
| Explicit solvation thermodynamics in ionic solution: extending grid inhomogeneous solvation theory to solvation free energy of salt–water mixtures F Waibl, J Kraml, ML Fernández-Quintero, JR Loeffler, KR Liedl Journal of Computer-Aided Molecular Design, 1-16, 2022 | 9 | 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 |
| PEP-Patch: Electrostatics in Protein-Protein Recognition, Specificity and Antibody Developability F Waibl, ND Pomarici, VJ Hoerschinger, JR Loeffler, C Deane, G Georges, ... bioRxiv, 2023.07. 14.547811, 2023 | 3 | 2023 |
| Inhibitors of Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1) AKH Weiss, R Wurzer, P Klapec, MP Eder, JR Loeffler, S von Grafenstein, ... Molecules 26 (16), 5009, 2021 | 2 | 2021 |
| 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 |
Klaus LiedlProfessor for Theoretical Chemistry, University of InnsbruckVerified email at uibk.ac.at
