Andrea Cesari
Andrea Cesari
PhD, SISSA
確認したメール アドレス: sissa.it - ホームページ
タイトル
引用先
引用先
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
1312019
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
692016
Using the Maximum Entropy Principle to Combine Simulations and Solution Experiments
A Cesari, S Reißer, G Bussi
Computation 6 (1), 15, 2018
562018
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
262018
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
222019
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
A community effort to promote transparency and reproducibility in enhanced molecular simulations
G Bussi, C Camilloni, G Tribello, P Banáš, M Bernetti, PG Bolhuis, ...
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