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The Journal of Chemical Physics|May 15, 2025
MDRefine: A Python package for refining molecular dynamics trajectories with experimental dataIvan Gilardoni, Valerio Piomponi, Thorben Fröhlking, et al.The Journal of Physical Chemistry Letters|January 25, 2024
Boosting Ensemble Refinement with Transferable Force-Field Corrections: Synergistic Optimization for Molecular SimulationsIvan Gilardoni, Thorben Fröhlking, Giovanni BussiACS Central Science|August 29, 2022
Molecular Simulations Matching Denaturation Experiments for N6-MethyladenosineValerio Piomponi, Thorben Fröhlking, Mattia Bernetti, et al.The Journal of Chemical Physics|June 5, 2023
Simultaneous refinement of molecular dynamics ensembles and forward models using experimental dataThorben Fröhlking, Mattia Bernetti, Giovanni BussiThe Journal of Chemical Physics|June 24, 2020
Toward empirical force fields that match experimental observablesThorben Fröhlking, Mattia Bernetti, Nicola Calonaci, et al.The Journal of Physical Chemistry. B|September 6, 2024
Molecular Simulations to Investigate the Impact of N6-Methylation in RNA Recognition: Improving Accuracy and Precision of Binding Free Energy PredictionValerio Piomponi, Miroslav Krepl, Jiri Sponer, et al.Journal of Chemical Theory and Computation|February 28, 2023
Alchemical Metadynamics: Adding Alchemical Variables to Metadynamics to Enhance Sampling in Free Energy CalculationsWei-Tse Hsu, Valerio Piomponi, Pascal T Merz, et al.Journal of Chemical Theory and Computation|April 1, 2022
Toward Convergence in Folding Simulations of RNA Tetraloops: Comparison of Enhanced Sampling Techniques and Effects of Force Field ModificationsVojtěch Mlýnský, Michal Janeček, Petra Kührová, et al.Journal of Chemical Theory and Computation|June 14, 2022
Automatic Learning of Hydrogen-Bond Fixes in the AMBER RNA Force FieldThorben Fröhlking, Vojtěch Mlýnský, Michal Janeček, et al.Nucleic Acids Research|June 26, 2025
Unique conformational dynamics and protein recognition of A-to-I hyper-edited dsRNAChristoph Müller-Hermes, Valerio Piomponi, Stefan Hilber, et al.Pageof 11