Notes for learning from RNA and other biopolymer experiments

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Useful RNA experimental summary

• Bernetti. M, Bussi. G, Integrating experimental data with molecular simulations to investigate RNA structural dynamics, Curr Opin Struct Biol, 2023, 102503

Learning from experiments

• Li, D., Brüschweiler, R., Iterative Optimization of Molecular Mechanics Force Fields from NMR Data of Full-Length Proteins, 2011, JCTC
• Cesari, A., Gil-Ley, A., Bussi, G., Combining Simulations and Solution Experiments as a Paradigm for RNA Force Field Refinement, JCTC, 2016
• Cesari, A., Bottaro, A., Lindorff-Larsen, K., Banáš, P., Šponer, J., Bussi, G., Fitting Corrections to an RNA Force Field Using Experimental Data, JCTC, 2019
• Köfinger, J., Hummer, G., Empirical optimization of molecular simulation force fields by Bayesian inference, Eur. Phys. J. B, 2021
• Fröhlking, T., Mlýnský, V., Janeček, M., Kührová, P., Krepl, M., Banáš, P., Šponer, J., Bussi, G., Automatic Learning of Hydrogen-Bond Fixes in the AMBER RNA Force Field, 2022, JCTC