Johannes R. Loeffler
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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, 3065, 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
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
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
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, 1440, 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, 2652, 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
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
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
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
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
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
Paratope states in solution improve structure prediction and docking
ML Fernández-Quintero, A Vangone, JR Loeffler, CA Seidler, G Georges, ...
Structure 30 (3), 430-440. e3, 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
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
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
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
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
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
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
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