| Adsorption of aromatic and anti-aromatic systems on graphene through π− π stacking J Björk, F Hanke, CA Palma, P Samori, M Cecchini, M Persson The Journal of Physical Chemistry Letters 1 (23), 3407-3412, 2010 | 386 | 2010 |
| Wordom: a program for efficient analysis of molecular dynamics simulations M Seeber, M Cecchini, F Rao, G Settanni, A Caflisch Bioinformatics 23 (19), 2625-2627, 2007 | 290 | 2007 |
| Allostery in its many disguises: from theory to applications SJ Wodak, E Paci, NV Dokholyan, IN Berezovsky, A Horovitz, J Li, ... Structure 27 (4), 566-578, 2019 | 234 | 2019 |
| Replica exchange molecular dynamics simulations of amyloid peptide aggregation M Cecchini, F Rao, M Seeber, A Caflisch arXiv preprint q-bio/0409021, 2004 | 220 | 2004 |
| Predicting self-assembly: from empirism to determinism CA Palma, M Cecchini, P Samorì Chemical Society Reviews 41 (10), 3713-3730, 2012 | 193 | 2012 |
| A gating mechanism of pentameric ligand-gated ion channels N Calimet, M Simoes, JP Changeux, M Karplus, A Taly, M Cecchini Proceedings of the National Academy of Sciences 110 (42), E3987-E3996, 2013 | 149 | 2013 |
| The nicotinic acetylcholine receptor and its prokaryotic homologues: Structure, conformational transitions & allosteric modulation M Cecchini, JP Changeux Neuropharmacology 96, 137-149, 2015 | 135 | 2015 |
| A molecular dynamics approach to the structural characterization of amyloid aggregation M Cecchini, R Curcio, M Pappalardo, R Melki, A Caflisch Journal of Molecular Biology 357 (4), 1306-1321, 2006 | 123 | 2006 |
| Allosteric communication in myosin V: from small conformational changes to large directed movements M Cecchini, A Houdusse, M Karplus PLoS computational biology 4 (8), e1000129, 2008 | 110 | 2008 |
| Discovery of cell-permeable non-peptide inhibitors of β-secretase by high-throughput docking and continuum electrostatics calculations D Huang, U Lüthi, P Kolb, K Edler, M Cecchini, S Audetat, A Barberis, ... Journal of medicinal chemistry 48 (16), 5108-5111, 2005 | 102 | 2005 |
| In silico discovery of beta-secretase inhibitors D Huang, U Lüthi, P Kolb, M Cecchini, A Barberis, A Caflisch J. Am. Chem. Soc 128 (16), 5436-5443, 2006 | 101 | 2006 |
| A Supramolecular Strategy to Leverage the Liquid‐Phase Exfoliation of Graphene in the Presence of Surfactants: Unraveling the Role of the Length of Fatty Acids S Haar, A Ciesielski, J Clough, H Yang, R Mazzaro, F Richard, S Conti, ... Small 11 (14), 1691-1702, 2015 | 97 | 2015 |
| On the permeation of large organic cations through the pore of ATP-gated P2X receptors M Harkat, L Peverini, AH Cerdan, K Dunning, J Beudez, A Martz, ... Proceedings of the National Academy of Sciences 114 (19), E3786-E3795, 2017 | 90 | 2017 |
| Atomistic simulations of 2D bicomponent self-assembly: from molecular recognition to self-healing CA Palma, P Samorì, M Cecchini Journal of the American Chemical Society 132 (50), 17880-17885, 2010 | 80 | 2010 |
| Automated docking of highly flexible ligands by genetic algorithms: A critical assessment M Cecchini, P Kolb, N Majeux, A Caflisch Journal of computational chemistry 25 (3), 412-422, 2003 | 76 | 2003 |
| The myosin X motor is optimized for movement on actin bundles V Ropars, Z Yang, T Isabet, F Blanc, K Zhou, T Lin, X Liu, P Hissier, ... Nature communications 7 (1), 12456, 2016 | 61 | 2016 |
| Calculation of free-energy differences by confinement simulations. Application to peptide conformers M Cecchini, SV Krivov, M Spichty, M Karplus The Journal of Physical Chemistry B 113 (29), 9728-9740, 2009 | 57 | 2009 |
| Pi release from myosin: a simulation analysis of possible pathways M Cecchini, Y Alexeev, M Karplus Structure 18 (4), 458-470, 2010 | 54 | 2010 |
| Photo-switchable tweezers illuminate pore-opening motions of an ATP-gated P2X ion channel C Habermacher, A Martz, N Calimet, D Lemoine, L Peverini, A Specht, ... Elife 5, e11050, 2016 | 49 | 2016 |
| Surface‐Induced Selection During In Situ Photoswitching at the Solid/Liquid Interface S Bonacchi, M El Garah, A Ciesielski, M Herder, S Conti, M Cecchini, ... Angewandte Chemie International Edition 54 (16), 4865-4869, 2015 | 45 | 2015 |
Paolo Samori'Distinguished Professor - ISIS, University of Strasbourg & CNRSVerified email at unistra.fr
