Research Associate

Publications

Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition.
V Limongelli, M Bonomi, L Marinelli, FL Gervasio, A Cavalli, E Novellino, M Parrinello
Proc Natl Acad Sci U S A
(2010)
107
Multiple Routes and Milestones in the Folding of HIV-1 Protease Monomer
M Bonomi, A Barducci, FL Gervasio, M Parrinello
Biophysical Journal
(2010)
98
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
M Bonomi, D Branduardi, G Bussi, C Camilloni, D Provasi, P Raiteri, D Donadio, F Marinelli, F Pietrucci, RA Broglia, M Parrinello
Computer Physics Communications
(2009)
180
Reconstructing the equilibrium boltzmann distribution from well-tempered metadynamics
M Bonomi, A Barducci, M Parrinello
Journal of computational chemistry
(2009)
30
Non-Native Structure in the Unfolded Ensemble of a Prototypical β-Hairpin
M Bonomi, D Branduardi, FL Gervasio, M Parrinello
Biophysical Journal
(2009)
96
Dual binding mode of SC-558 in COX-2: A new frontier in COX inhibition
V Limongelli, M Bonomi, L Marinelli, E Novellino, M Parrinello
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2009)
238
The unfolded ensemble and folding mechanism of the C-terminal GB1 β-hairpin
M Bonomi, D Branduardi, FL Gervasio, M Parrinello
J Am Chem Soc
(2008)
130
Insight into the folding inhibition of the HIV-1 protease by a small peptide.
M Bonomi, FL Gervasio, G Tiana, D Provasi, RA Broglia, M Parrinello
Biophysical journal
(2007)
93
Insight into the folding inhibition of HIV-1 protease by a small peptide
M Bonomi, FL Gervasio, G Tiana, D Provasi, RA Broglia, M Parrinello
DRUGS OF THE FUTURE
(2007)
32

Postdoctoral researcher