| 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 | 28 | 2019 |
| Peptidic macrocycles-conformational sampling and thermodynamic characterization AS Kamenik, U Lessel, JE Fuchs, T Fox, KR Liedl Journal of chemical information and modeling 58 (5), 982-992, 2018 | 28 | 2018 |
| Structure of the major apple allergen Mal d 1 L Ahammer, S Grutsch, AS Kamenik, KR Liedl, M Tollinger Journal of agricultural and food chemistry 65 (8), 1606-1612, 2017 | 25 | 2017 |
| Localization of millisecond dynamics: dihedral entropy from accelerated MD AS Kamenik, U Kahler, JE Fuchs, KR Liedl Journal of chemical theory and computation 12 (8), 3449-3455, 2016 | 17 | 2016 |
| 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 | 12 | 2019 |
| Conformational flexibility differentiates naturally occurring Bet v 1 isoforms S Grutsch, JE Fuchs, L Ahammer, AS Kamenik, KR Liedl, M Tollinger International journal of molecular sciences 18 (6), 1192, 2017 | 9 | 2017 |
| pH-Dependent protonation of the Phl p 6 pollen allergen studied by NMR and cpH-aMD F Hofer, V Dietrich, AS Kamenik, M Tollinger, KR Liedl Journal of chemical theory and computation 15 (10), 5716-5726, 2019 | 5 | 2019 |
| Sodium-induced population shift drives activation of thrombin U Kahler, AS Kamenik, J Kraml, KR Liedl Scientific reports 10 (1), 1-10, 2020 | 4 | 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 | 3 | 2019 |
| 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 | 2 | 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 | 2 | 2020 |
| Catalytic Site pKa Values of Aspartic, Cysteine, and Serine Proteases: Constant pH MD Simulations F Hofer, J Kraml, U Kahler, AS Kamenik, KR Liedl Journal of chemical information and modeling 60 (6), 3030-3042, 2020 | 2 | 2020 |
| Dynamics rationalize proteolytic susceptibility of the major birch pollen allergen Bet v 1 AS Kamenik, F Hofer, PH Handle, KR Liedl Frontiers in molecular biosciences 7, 18, 2020 | 2 | 2020 |
| In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization P Winter, S Stubenvoll, S Scheiblhofer, IA Joubert, L Strasser, C Briganser, ... Frontiers in immunology 11, 1824, 2020 | 1 | 2020 |
| 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 | 1 | 2020 |
| Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens S Führer, AS Kamenik, R Zeindl, B Nothegger, F Hofer, N Reider, ... Scientific reports 11 (1), 1-14, 2021 | | 2021 |
| Conformational Ensembles of Antibodies Determine Their Hydrophobicity F Waibl, ML Fernández-Quintero, AS Kamenik, J Kraml, F Hofer, ... Biophysical Journal, 2020 | | 2020 |
| Polarizable and non-polarizable force fields: Protein folding, unfolding, and misfolding AS Kamenik, PH Handle, F Hofer, U Kahler, J Kraml, KR Liedl The Journal of Chemical Physics 153 (18), 185102, 2020 | | 2020 |
| 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 | | 2020 |
| Profiling selectivity of chagasin mutants towards cysteine proteases cruzain or cathepsin L through molecular dynamics simulations NP Toman, AS Kamenik, LH Santos, F Hofer, KR Liedl, RS Ferreira Journal of Biomolecular Structure and Dynamics, 1-13, 2020 | | 2020 |
Klaus LiedlProfessor for Theoretical Chemistry, University of InnsbruckVerified email at uibk.ac.at
