Marco Cecchini
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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
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
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
Replica exchange molecular dynamics simulations of amyloid peptide aggregation
M Cecchini, F Rao, M Seeber, A Caflisch
arXiv preprint q-bio/0409021, 2004
Predicting self-assembly: from empirism to determinism
CA Palma, M Cecchini, P Samorì
Chemical Society Reviews 41 (10), 3713-3730, 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
The nicotinic acetylcholine receptor and its prokaryotic homologues: Structure, conformational transitions & allosteric modulation
M Cecchini, JP Changeux
Neuropharmacology 96, 137-149, 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
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
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
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
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
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
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
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
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
Pi release from myosin: a simulation analysis of possible pathways
M Cecchini, Y Alexeev, M Karplus
Structure 18 (4), 458-470, 2010
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
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
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
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