
Research Associate
Publications
Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition.
Proc Natl Acad Sci U S A
(2010)
107
5411
(doi: 10.1073/pnas.0913377107)
Multiple Routes and Milestones in the Folding of HIV-1 Protease Monomer
Biophysical Journal
(2010)
98
199a
(doi: 10.1016/j.bpj.2009.12.1063)
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
Computer Physics Communications
(2009)
180
1961
(doi: 10.1016/j.cpc.2009.05.011)
Reconstructing the equilibrium boltzmann distribution from well-tempered metadynamics
Journal of computational chemistry
(2009)
30
1615
(doi: 10.1002/jcc.21305)
Non-Native Structure in the Unfolded Ensemble of a Prototypical β-Hairpin
Biophysical Journal
(2009)
96
78A
(doi: 10.1016/j.bpj.2008.12.307)
Dual binding mode of SC-558 in COX-2: A new frontier in COX inhibition
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2009)
238
The unfolded ensemble and folding mechanism of the C-terminal GB1 β-hairpin
J Am Chem Soc
(2008)
130
13938
(doi: 10.1021/ja803652f)
Insight into the folding inhibition of the HIV-1 protease by a small peptide.
Biophysical journal
(2007)
93
2813
(doi: 10.1529/biophysj.107.106369)
Insight into the folding inhibition of HIV-1 protease by a small peptide
DRUGS OF THE FUTURE
(2007)
32
14
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