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Thorben Fröhlking
Thorben Fröhlking
PostDoc, UniGE
Verified email at unige.ch - Homepage
Title
Cited by
Cited by
Year
Toward empirical force fields that match experimental observables
T Fröhlking, M Bernetti, N Calonaci, G Bussi
The Journal of chemical physics 152 (23), 2020
702020
Toward convergence in folding simulations of RNA tetraloops: Comparison of enhanced sampling techniques and effects of force field modifications
V Mlynsky, M Janeček, P Kuhrova, T Frohlking, M Otyepka, G Bussi, ...
Journal of Chemical Theory and Computation 18 (4), 2642-2656, 2022
262022
Automatic learning of hydrogen-bond fixes in the AMBER RNA force field
T Frohlking, V Mlýnský, M Janeček, P Kührová, M Krepl, P Banáš, ...
Journal of Chemical Theory and Computation 18 (7), 4490-4502, 2022
202022
Copy paper as a source of reinforcement for biodegradable composites–Influence of fibre loading, processing method and layer arrangement–An overview
N Graupner, M Prambauer, T Fröhlking, C Graf, JM Becker, K Meyer, ...
Composites Part A: Applied Science and Manufacturing 120, 161-171, 2019
172019
Molecular Simulations Matching Denaturation Experiments for N6-Methyladenosine
V Piomponi, T Fröhlking, M Bernetti, G Bussi
ACS Central Science 8 (8), 1218-1228, 2022
72022
Simultaneous refinement of molecular dynamics ensembles and forward models using experimental data
T Fröhlking, M Bernetti, G Bussi
The Journal of Chemical Physics 158 (21), 2023
32023
Boosting Ensemble Refinement with Transferable Force-Field Corrections: Synergistic Optimization for Molecular Simulations
I Gilardoni, T Fröhlking, G Bussi
The Journal of Physical Chemistry Letters 15, 1204-1210, 2024
22024
Deep learning path-like collective variable for enhanced sampling molecular dynamics
T Fröhlking, L Bonati, V Rizzi, FL Gervasio
arXiv preprint arXiv:2402.01508, 2024
12024
Towards empirical force fields that reproduce experimental observables
T Fröhlking, M Bernetti, N Calonaci, G Bussi
arXiv, arXiv: 2004.01630, 2020
12020
Refinement of molecular dynamics ensembles using experimental data and flexible forward models
T Fröhlking, M Bernetti, G Bussi
arXiv preprint arXiv:2303.09372, 2023
2023
Machine learning RNA force fields from experimental data
T Froehlking
SISSA, 2022
2022
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