Theo dõi
Francesco Luigi Gervasio
Francesco Luigi Gervasio
Professor of Pharmaceutical Sciences at University of Geneva & Professor of Chemistry UCL
Email được xác minh tại unige.ch - Trang chủ
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
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
18412008
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
8382019
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
6712006
From A to B in free energy space
D Branduardi, FL Gervasio, M Parrinello
The Journal of chemical physics 126 (5), 2007
6492007
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
6232005
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
5962006
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
4172016
Flexible docking in solution using metadynamics
FL Gervasio, A Laio, M Parrinello
Journal of the American Chemical Society 127 (8), 2600-2607, 2005
3582005
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
3082002
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
2552010
Electronic structure of wet DNA
FL Gervasio, P Carloni, M Parrinello
Physical review letters 89 (10), 108102, 2002
2082002
Role of glutamine synthetase in angiogenesis beyond glutamine synthesis
G Eelen, C Dubois, AR Cantelmo, J Goveia, U Brüning, M DeRan, ...
Nature 561 (7721), 63-69, 2018
2032018
New advances in metadynamics
L Sutto, S Marsili, FL Gervasio
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (5), 771-779, 2012
1982012
Understanding cryptic pocket formation in protein targets by enhanced sampling simulations
V Oleinikovas, G Saladino, BP Cossins, FL Gervasio
Journal of the American Chemical Society 138 (43), 14257-14263, 2016
1932016
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
1902013
Phosphatidylinositol 4, 5-bisphosphate triggers activation of focal adhesion kinase by inducing clustering and conformational changes
GM Goñi, C Epifano, J Boskovic, M Camacho-Artacho, J Zhou, ...
Proceedings of the National Academy of Sciences 111 (31), E3177-E3186, 2014
1622014
Investigating drug–target association and dissociation mechanisms using metadynamics-based algorithms
A Cavalli, A Spitaleri, G Saladino, FL Gervasio
Accounts of chemical research 48 (2), 277-285, 2015
1612015
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, 2009
1552009
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
1472013
Investigating cryptic binding sites by molecular dynamics simulations
A Kuzmanic, GR Bowman, J Juarez-Jimenez, J Michel, FL Gervasio
Accounts of chemical research 53 (3), 654-661, 2020
1462020
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