PLUMED 2: New feathers for an old bird GA Tribello, M Bonomi, D Branduardi, C Camilloni, G Bussi Computer physics communications 185 (2), 604-613, 2014 | 2898 | 2014 |
PLUMED: A portable plugin for free-energy calculations with molecular dynamics M Bonomi, D Branduardi, G Bussi, C Camilloni, D Provasi, P Raiteri, ... Computer Physics Communications 180 (10), 1961-1972, 2009 | 1750 | 2009 |
Metadynamics A Barducci, M Bonomi, M Parrinello Wiley Interdisciplinary Reviews: Computational Molecular Science, 2011 | 1476* | 2011 |
Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banas, A Barducci, ... Nature Methods 16 (8), 670-673, 2019 | 703 | 2019 |
Bat coronaviruses related to SARS-CoV-2 and infectious for human cells S Temmam, K Vongphayloth, E Baquero, S Munier, M Bonomi, ... Nature 604 (7905), 330-336, 2022 | 446* | 2022 |
Funnel metadynamics as accurate binding free-energy method V Limongelli, M Bonomi, M Parrinello Proceedings of the National Academy of Sciences 110 (16), 6358-6363, 2013 | 407 | 2013 |
Reconstructing the equilibrium Boltzmann distribution from well‐tempered metadynamics M Bonomi, A Barducci, M Parrinello Journal of computational chemistry 30 (11), 1615-1621, 2009 | 375 | 2009 |
Principles of protein structural ensemble determination M Bonomi, GT Heller, C Camilloni, M Vendruscolo Current opinion in structural biology 42, 106-116, 2017 | 314 | 2017 |
Effects of α-tubulin acetylation on microtubule structure and stability L Eshun-Wilson, R Zhang, D Portran, MV Nachury, DB Toso, T Löhr, ... Proceedings of the National Academy of Sciences 116 (21), 10366-10371, 2019 | 298 | 2019 |
Enhanced sampling in the well-tempered ensemble M Bonomi, M Parrinello Physical review letters 104 (19), 190601, 2010 | 277 | 2010 |
Crystal structure of a eukaryotic phosphate transporter BP Pedersen, H Kumar, AB Waight, AJ Risenmay, Z Roe-Zurz, BH Chau, ... Nature 496 (7446), 533-536, 2013 | 254 | 2013 |
Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition V Limongelli, M Bonomi, L Marinelli, FL Gervasio, A Cavalli, E Novellino, ... Proceedings of the National Academy of Sciences 107 (12), 5411-5416, 2010 | 241 | 2010 |
Efficient sampling of high-dimensional free-energy landscapes with parallel bias metadynamics J Pfaendtner, M Bonomi Journal of chemical theory and computation 11 (11), 5062-5067, 2015 | 213 | 2015 |
Metainference: A Bayesian inference method for heterogeneous systems M Bonomi, C Camilloni, A Cavalli, M Vendruscolo Science advances 2 (1), e1501177, 2016 | 200 | 2016 |
Efficient simulation of explicitly solvated proteins in the well-tempered ensemble M Deighan, M Bonomi, J Pfaendtner Journal of chemical theory and computation 8 (7), 2189-2192, 2012 | 146 | 2012 |
Accuracy of current all-atom force-fields in modeling protein disordered states F Palazzesi, MK Prakash, M Bonomi, A Barducci Journal of chemical theory and computation 11 (1), 2-7, 2015 | 126 | 2015 |
Cys-scanning disulfide crosslinking and bayesian modeling probe the transmembrane signaling mechanism of the histidine kinase, PhoQ KS Molnar, M Bonomi, R Pellarin, GD Clinthorne, G Gonzalez, ... Structure 22 (9), 1239-1251, 2014 | 123 | 2014 |
Simultaneous quantification of protein order and disorder P Sormanni, D Piovesan, GT Heller, M Bonomi, P Kukic, C Camilloni, ... Nature chemical biology 13 (4), 339-342, 2017 | 120 | 2017 |
Small-molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer’s disease GT Heller, FA Aprile, TCT Michaels, R Limbocker, M Perni, FS Ruggeri, ... Science advances 6 (45), eabb5924, 2020 | 118 | 2020 |
The unfolded ensemble and folding mechanism of the C-terminal GB1 β-hairpin M Bonomi, D Branduardi, FL Gervasio, M Parrinello Journal of the American Chemical Society 130 (42), 13938-13944, 2008 | 110 | 2008 |