Thorben Fröhlking

Automatic Learning of Hydrogen-Bond Fixes in the AMBER RNA Force Field

J. Šponer, G. Bussi, P. Banáš, 2022, Journal of chemical theory and computation.

Molecular Simulations Matching Denaturation Experiments for N6-Methyladenosine

G. Bussi, M. Bernetti, Valerio Piomponi, 2022, ACS central science.

Toward Convergence in Folding Simulations of RNA Tetraloops: Comparison of Enhanced Sampling Techniques and Effects of Force Field Modifications.

J. Šponer, G. Bussi, M. Otyepka, 2022, Journal of chemical theory and computation.

Towards Convergence in Folding Simulations of RNA Tetraloops: Comparison of Enhanced Sampling Techniques and Effects of Force Field Corrections

J. Šponer, G. Bussi, M. Otyepka, 2021, bioRxiv.

Toward empirical force fields that match experimental observables.

G. Bussi, M. Bernetti, Nicola Calonaci, 2020, The Journal of chemical physics.

Copy paper as a source of reinforcement for biodegradable composites – Influence of fibre loading, processing method and layer arrangement – An overview

N. Graupner, J. Müssig, C. Burgstaller, 2019, Composites Part A: Applied Science and Manufacturing.

Simultaneous refinement of molecular dynamics ensembles and forward models using experimental data.

G. Bussi, M. Bernetti, Thorben Fröhlking, 2023, The Journal of chemical physics.

Boosting Ensemble Refinement with Transferable Force-Field Corrections: Synergistic Optimization for Molecular Simulations.

G. Bussi, Thorben Fröhlking, Ivan Gilardoni, 2023, The journal of physical chemistry letters.