| Solvation free energy as a measure of hydrophobicity: application to serine protease binding interfaces J Kraml, AS Kamenik, F Waibl, M Schauperl, KR Liedl Journal of chemical theory and computation 15 (11), 5872-5882, 2019 | 52 | 2019 |
| Antibodies exhibit multiple paratope states influencing VH–VL domain orientations ML Fernández-Quintero, ND Pomarici, BA Math, KB Kroell, F Waibl, ... Communications biology 3 (1), 589, 2020 | 51 | 2020 |
| 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 | 44 | 2020 |
| Assessing developability early in the discovery process for novel biologics ML Fernández-Quintero, A Ljungars, F Waibl, V Greiff, JT Andersen, ... MAbs 15 (1), 2171248, 2023 | 43 | 2023 |
| Lessons for Oral bioavailability: how Conformationally flexible cyclic peptides enter and cross lipid membranes SM Linker, C Schellhaas, AS Kamenik, MM Veldhuizen, F Waibl, HJ Roth, ... Journal of medicinal chemistry 66 (4), 2773-2788, 2023 | 32 | 2023 |
| Comparison of hydrophobicity scales for predicting biophysical properties of antibodies F Waibl, ML Fernández-Quintero, FS Wedl, H Kettenberger, G Georges, ... Frontiers in Molecular Biosciences 9, 960194, 2022 | 32 | 2022 |
| Balance between hydration enthalpy and entropy is important for ice binding surfaces in Antifreeze Proteins M Schauperl, M Podewitz, TS Ortner, F Waibl, A Thoeny, T Loerting, ... Scientific reports 7 (1), 11901, 2017 | 31 | 2017 |
| Challenges in antibody structure prediction ML Fernández-Quintero, J Kokot, F Waibl, ALM Fischer, PK Quoika, ... MAbs 15 (1), 2175319, 2023 | 29 | 2023 |
| Protein-protein binding as a two-step mechanism: Preselection of encounter poses during the binding of BPTI and trypsin U Kahler, AS Kamenik, F Waibl, J Kraml, KR Liedl Biophysical journal 119 (3), 652-666, 2020 | 27 | 2020 |
| Conformational ensembles of antibodies determine their hydrophobicity F Waibl, ML Fernández-Quintero, AS Kamenik, J Kraml, F Hofer, ... Biophysical Journal 120 (1), 143-157, 2021 | 26 | 2021 |
| 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 | 22 | 2020 |
| 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 | 21 | 2020 |
| 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 | 21 | 2019 |
| Solvation thermodynamics in different solvents: water–chloroform partition coefficients from grid inhomogeneous solvation theory J Kraml, F Hofer, AS Kamenik, F Waibl, U Kahler, M Schauperl, KR Liedl Journal of Chemical Information and Modeling 60 (8), 3843-3853, 2020 | 18 | 2020 |
| The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics ALM Fischer, A Tichy, J Kokot, VJ Hoerschinger, RF Wild, JR Riccabona, ... Journal of Chemical Theory and Computation 20 (5), 2321-2333, 2024 | 12 | 2024 |
| The influence of antibody humanization on shark variable domain (VNAR) binding site ensembles ML Fernández-Quintero, ALM Fischer, J Kokot, F Waibl, CA Seidler, ... Frontiers in Immunology 13, 953917, 2022 | 12 | 2022 |
| 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 | 12 | 2022 |
| PEP-patch: electrostatics in protein–protein recognition, specificity, and antibody developability VJ Hoerschinger, F Waibl, ND Pomarici, JR Loeffler, CM Deane, ... Journal of Chemical Information and Modeling 63 (22), 6964-6971, 2023 | 8 | 2023 |
| Grid inhomogeneous solvation theory for cross-solvation in rigid solvents F Waibl, J Kraml, VJ Hoerschinger, F Hofer, AS Kamenik, ... The Journal of Chemical Physics 156 (20), 2022 | 8 | 2022 |
| OCD. py-Characterizing immunoglobulin inter-domain orientations VJ Hoerschinger, ML Fernández-Quintero, F Waibl, J Kraml, A Bujotzek, ... bioRxiv, 2021.03. 15.435379, 2021 | 5 | 2021 |
