Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019 | 643 | 2019 |
Using the Maximum Entropy Principle to Combine Simulations and Solution Experiments A Cesari, S Reißer, G Bussi Computation 6 (1), 15, 2018 | 112 | 2018 |
Combining simulations and solution experiments as a paradigm for RNA force field refinement A Cesari, A Gil-Ley, G Bussi Journal of chemical theory and computation 12 (12), 6192-6200, 2016 | 100 | 2016 |
Determination of structural ensembles of proteins: restraining vs reweighting R Rangan, M Bonomi, GT Heller, A Cesari, G Bussi, M Vendruscolo Journal of chemical theory and computation 14 (12), 6632-6641, 2018 | 57 | 2018 |
Fitting corrections to an RNA force field using experimental data A Cesari, S Bottaro, K Lindorff-Larsen, P Banáš, J Šponer, G Bussi Journal of chemical theory and computation 15 (6), 3425-3431, 2019 | 51 | 2019 |
A community effort to promote transparency and reproducibility in enhanced molecular simulations G Bussi, C Camilloni, G Tribello, P Banáš, M Bernetti, PG Bolhuis, ... | 10* | |
Enforcing ensemble averages in molecular dynamics simulations using the Maximum Entropy principle A Cesari SISSA, 2018 | | 2018 |
Automated force-field parametrization guided by multisystem ensemble averages A Cesari, S Bottaro, G Bussi Biophysical Journal 114 (3), 437a, 2018 | | 2018 |
Refining molecular dynamics simulations of RNA using solution NMR data A Cesari, AG Ley, G Bussi EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S210-S210, 2017 | | 2017 |
Supporting information for: Combining simulations and solution experiments as a paradigm for RNA force field refinement A Cesari, A Gil-Ley, G Bussi | | |