Francesco Luigi Gervasio

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michele parrinelloDepartment of ChemistryPotvrđena adresa e-pošte na phys.chem.ethz.ch
Giorgio SaladinoUniversity College London (UCL)Potvrđena adresa e-pošte na ucl.ac.uk
Ludovico SuttoResearch Associate at University College LondonPotvrđena adresa e-pošte na ucl.ac.uk
Alessandro LaioSISSAPotvrđena adresa e-pošte na sissa.it
Vincenzo SchettinoPotvrđena adresa e-pošte na lens.unifi.it
Andrea CavalliDirector, CECAM-EPFL - Professor, University of BolognaPotvrđena adresa e-pošte na unibo.it
Davide BranduardiComputational Chemistry & Informatics Group at AstexPotvrđena adresa e-pošte na astx.com
Piero ProcacciComputational chemist, University of FlorencePotvrđena adresa e-pošte na unifi.it
Riccardo ChelliDepartment of Chemistry, University of Florence, ItalyPotvrđena adresa e-pošte na unifi.it
Maurizio RecanatiniRetired Professor of Medicinal Chemistry, University of BolognaPotvrđena adresa e-pošte na unibo.it
S. Acosta-GutiérrezUCL, ChemistryPotvrđena adresa e-pošte na ucl.ac.uk
Paolo CarloniForschungszentrum JülichPotvrđena adresa e-pošte na fz-juelich.de
Gianni CardiniProfessor of Chemical Physics, Department of Chemistry, University of FirenzePotvrđena adresa e-pošte na unifi.it
Giovanni BussiScuola Internazionale Superiore di Studi Avanzati, Trieste, ItalyPotvrđena adresa e-pošte na sissa.it
Antonija KuzmanicSchrödingerPotvrđena adresa e-pošte na schrodinger.com
Prof Giuseppe BattagliaICREA Professor, IBEC Group Leader, and Honorary @UCLPotvrđena adresa e-pošte na ibecbarcelona.eu
Massimiliano BonomiInstitut Pasteur, CNRSPotvrđena adresa e-pošte na pasteur.fr
Federico ComitaniThe Hospital for Sick Children, TorontoPotvrđena adresa e-pošte na sickkids.ca
Marisa Martin-FernandezGroup Leader, STFC Central Laser FacilityPotvrđena adresa e-pošte na stfc.ac.uk
Carolina EstarellasUniversitat de BarcelonaPotvrđena adresa e-pošte na ub.edu

Prati

Francesco Luigi Gervasio

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

Potvrđena adresa e-pošte na unige.ch - Početna stranica

Computational Chemistry Molecular Dynamics Signaling Proteins Biophysics Computational Biophysics


Naslov Poredaj po navodima Poredaj po godini Poredaj po naslovu	Citirano Citirano	Godina
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	1839	2008
Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019	828	2019
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	669	2006
From A to B in free energy space D Branduardi, FL Gervasio, M Parrinello The Journal of chemical physics 126 (5), 2007	643	2007
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	623	2005
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	593	2006
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	412	2016
Flexible docking in solution using metadynamics FL Gervasio, A Laio, M Parrinello Journal of the American Chemical Society 127 (8), 2600-2607, 2005	357	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	308	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	254	2010
Electronic structure of wet DNA FL Gervasio, P Carloni, M Parrinello Physical review letters 89 (10), 108102, 2002	208	2002
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	201	2018
New advances in metadynamics L Sutto, S Marsili, FL Gervasio Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (5), 771-779, 2012	198	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	191	2016
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	187	2013
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	161	2015
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	161	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	154	2009
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	147	2013
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	145	2020

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