Francesco Luigi Gervasio
Francesco Luigi Gervasio
Professor of Chemistry, Professor of Structural and Molecular Biology and Chair of Bio-molecular
Verified email at ucl.ac.uk - Homepage
TitleCited byYear
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
A Laio, FL Gervasio
Reports on Progress in Physics 71 (12), 126601, 2008
10792008
Assessing the accuracy of metadynamics
A Laio, A Rodriguez-Fortea, FL Gervasio, M Ceccarelli, M Parrinello
The journal of physical chemistry B 109 (14), 6714-6721, 2005
4572005
Free-energy landscape for β hairpin folding from combined parallel tempering and metadynamics
G Bussi, FL Gervasio, A Laio, M Parrinello
Journal of the American Chemical Society 128 (41), 13435-13441, 2006
3932006
Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics
P Raiteri, A Laio, FL Gervasio, C Micheletti, M Parrinello
The journal of physical chemistry B 110 (8), 3533-3539, 2006
3372006
From to in free energy space
D Branduardi, FL Gervasio, M Parrinello
The Journal of chemical physics 126 (5), 054103, 2007
3222007
Flexible docking in solution using metadynamics
FL Gervasio, A Laio, M Parrinello
Journal of the American Chemical Society 127 (8), 2600-2607, 2005
2482005
Stacking and T-shape competition in aromatic− aromatic amino acid interactions
R Chelli, FL Gervasio, P Procacci, V Schettino
Journal of the American Chemical Society 124 (21), 6133-6143, 2002
2272002
Electronic structure of wet DNA
FL Gervasio, P Carloni, M Parrinello
Physical review letters 89 (10), 108102, 2002
1922002
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
1542010
The role of protein loops and linkers in conformational dynamics and allostery
E Papaleo, G Saladino, M Lambrughi, K Lindorff-Larsen, FL Gervasio, ...
Chemical reviews 116 (11), 6391-6423, 2016
1192016
Effects of oncogenic mutations on the conformational free-energy landscape of EGFR kinase
L Sutto, FL Gervasio
Proceedings of the National Academy of Sciences 110 (26), 10616-10621, 2013
1132013
Protein conformational transitions: the closure mechanism of a kinase explored by atomistic simulations
A Berteotti, A Cavalli, D Branduardi, FL Gervasio, M Recanatini, ...
Journal of the American Chemical Society 131 (1), 244-250, 2008
1042008
Investigating biological systems using first principles Car–Parrinello molecular dynamics simulations
M Dal Peraro, P Ruggerone, S Raugei, FL Gervasio, P Carloni
Current opinion in structural biology 17 (2), 149-156, 2007
1042007
Metadynamics simulation of prion protein: β-structure stability and the early stages of misfolding
A Barducci, R Chelli, P Procacci, V Schettino, FL Gervasio, M Parrinello
Journal of the American Chemical Society 128 (8), 2705-2710, 2006
1042006
Inhibition of tumor angiogenesis and growth by a small-molecule multi-FGF receptor blocker with allosteric properties
F Bono, F De Smet, C Herbert, K De Bock, M Georgiadou, P Fons, M Tjwa, ...
Cancer cell 23 (4), 477-488, 2013
952013
The role of the peripheral anionic site and cation− π interactions in the ligand penetration of the human AChE gorge
D Branduardi, FL Gervasio, A Cavalli, M Recanatini, M Parrinello
Journal of the American Chemical Society 127 (25), 9147-9155, 2005
922005
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
902008
Molecular mechanism of SSR128129E, an extracellularly acting, small-molecule, allosteric inhibitor of FGF receptor signaling
C Herbert, U Schieborr, K Saxena, J Juraszek, F De Smet, C Alcouffe, ...
Cancer cell 23 (4), 489-501, 2013
862013
New advances in metadynamics
L Sutto, S Marsili, FL Gervasio
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (5), 771-779, 2012
862012
The different flexibility of c-Src and c-Abl kinases regulates the accessibility of a druggable inactive conformation
S Lovera, L Sutto, R Boubeva, L Scapozza, N Dölker, FL Gervasio
Journal of the American Chemical Society 134 (5), 2496-2499, 2012
822012
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Articles 1–20