Seuraa
Anna Sophia Kamenik
Anna Sophia Kamenik
Muut nimetAnna Sophia Albertini
Computational Chemist, Syngenta
Vahvistettu sähköpostiosoite verkkotunnuksessa syngenta.com
Nimike
Viittaukset
Viittaukset
Vuosi
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
882019
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
792020
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
702018
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
632017
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
532019
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), 2020
442020
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
372023
Enhanced sampling without borders: on global biasing functions and how to reweight them
AS Kamenik, SM Linker, S Riniker
Physical Chemistry Chemical Physics 24 (3), 1225-1236, 2022
312022
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
272020
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
262021
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
242016
Energy penalties enhance flexible receptor docking in a model cavity
AS Kamenik, I Singh, P Lak, TE Balius, KR Liedl, BK Shoichet
Proceedings of the National Academy of Sciences 118 (36), e2106195118, 2021
212021
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
212019
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
212017
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
202021
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
202020
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
192020
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), 4173, 2021
162021
Covalent polyphenol modification of a reactive cysteine in the major apple allergen Mal d 1
J Unterhauser, L Ahammer, T Rainer, R Eidelpes, S Führer, B Nothegger, ...
Food Chemistry 410, 135374, 2023
142023
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
142020
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