Francesco Luigi Gervasio

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michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
Giorgio SaladinoUniversity College London (UCL)Verified email at ucl.ac.uk
Alessandro LaioSISSAVerified email at sissa.it
Ludovico SuttoResearch Associate at University College LondonVerified email at ucl.ac.uk
Vincenzo SchettinoVerified email at lens.unifi.it
Andrea CavalliDirector, CECAM, EPFL-Lausanne (CH) - Professor, University of Bologna (IT)Verified email at unibo.it
Davide BranduardiComputational Chemistry & Informatics Group at AstexVerified email at astx.com
Piero ProcacciComputational chemist, University of FlorenceVerified email at unifi.it
Riccardo ChelliDepartment of Chemistry, University of Florence, ItalyVerified email at unifi.it
Maurizio RecanatiniProfessor of Medicinal Chemistry, University of BolognaVerified email at unibo.it
S. Acosta-GutiérrezChemistry Dept. University College LondonVerified email at ucl.ac.uk
Paolo CarloniForschungszentrum JülichVerified email at fz-juelich.de
Gianni CardiniProfessor of Chemical Physics, Department of Chemistry, University of FirenzeVerified email at unifi.it
Giovanni BussiScuola Internazionale Superiore di Studi Avanzati, Trieste, ItalyVerified email at sissa.it
Antonija KuzmanicSchrödingerVerified email at schrodinger.com
Massimiliano BonomiInstitut Pasteur, CNRSVerified email at pasteur.fr
Prof Giuseppe BattagliaDept Chemistry at UCL & ICREA Professor at Institute for Bioengineering of Catalonia (IBEC) -BISTVerified email at ucl.ac.uk
Marc BianciottoComputer-Aided Drug Design, SanofiVerified email at sanofi.com
Carolina EstarellasUniversitat de BarcelonaVerified email at ub.edu
Federico ComitaniThe Hospital for Sick Children, TorontoVerified email at sickkids.ca

Francesco Luigi Gervasio

Professor of Pharmaceutical Sciences at University of Geneva & Professor of Chemistry UCL

Verified email at unige.ch - Homepage

Computational Chemistry Molecular Dynamics Signaling Proteins Biophysics Computational Biophysics


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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	1663	2008
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	595	2005
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	585	2006
From A to B in free energy space D Branduardi, FL Gervasio, M Parrinello The Journal of chemical physics 126 (5), 2007	550	2007
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	544	2006
Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019	348	2019
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	329	2016
Flexible docking in solution using metadynamics FL Gervasio, A Laio, M Parrinello Journal of the American Chemical Society 127 (8), 2600-2607, 2005	327	2005
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	284	2002
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	224	2010
Electronic structure of wet DNA FL Gervasio, P Carloni, M Parrinello Physical review letters 89 (10), 108102, 2002	208	2002
Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019	181	2019
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	174	2013
New advances in metadynamics L Sutto, S Marsili, FL Gervasio Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (5), 771-779, 2012	168	2012
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	144	2016
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	140	2014
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	139	2009
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	138	2015
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	138	2013
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	131	2018

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