دنبال کردن
Thorben Fröhlking
Thorben Fröhlking
PostDoc, UniGE
ایمیل تأیید شده در unige.ch - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
Toward empirical force fields that match experimental observables
T Fröhlking, M Bernetti, N Calonaci, G Bussi
The Journal of chemical physics 152 (23), 2020
882020
Toward convergence in folding simulations of RNA tetraloops: Comparison of enhanced sampling techniques and effects of force field modifications
V Mlýnský, M Janeček, P Kuhrova, T Frohlking, M Otyepka, G Bussi, ...
Journal of Chemical Theory and Computation 18 (4), 2642-2656, 2022
382022
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
272022
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
212019
Molecular Simulations Matching Denaturation Experiments for N6-Methyladenosine
V Piomponi, T Fröhlking, M Bernetti, G Bussi
ACS Central Science 8 (8), 1218-1228, 2022
112022
Deep learning path-like collective variable for enhanced sampling molecular dynamics
T Fröhlking, L Bonati, V Rizzi, FL Gervasio
The Journal of Chemical Physics 160 (17), 2024
92024
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
62023
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 (5), 1204-1210, 2024
42024
Refinement of molecular dynamics ensembles using experimental data and flexible forward models
T Fröhlking, M Bernetti, G Bussi
arXiv preprint arXiv:2303.09372, 2023
12023
Towards empirical force fields that reproduce experimental observables
T Fröhlking, M Bernetti, N Calonaci, G Bussi
arXiv, arXiv: 2004.01630, 2020
12020
MDRefine: a Python package for refining Molecular Dynamics trajectories with experimental data
I Gilardoni, V Piomponi, T Fröhlking, G Bussi
arXiv preprint arXiv:2411.07798, 2024
2024
DeepLNE++ leveraging knowledge distillation for accelerated multi-state path-like collective variables
T Fröhlking, V Rizzi, S Aureli, FL Gervasio
The Journal of Chemical Physics 161 (11), 2024
2024
Machine learning RNA force fields from experimental data
T Froehlking
SISSA, 2022
2022
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–13