Marco Cecchini - Publications

Affiliations: 
ISIS Université de Strasbourg 

33 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Felline A, Conti S, Seeber M, Cecchini M, Fanelli F. Wordom update 2: A user-friendly program for the analysis of molecular structures and conformational ensembles. Computational and Structural Biotechnology Journal. 21: 1390-1402. PMID 36817953 DOI: 10.1016/j.csbj.2023.01.026  0.704
2018 Zeng X, Zhu L, Zheng X, Cecchini M, Huang X. Harnessing complexity in molecular self-assembly using computer simulations. Physical Chemistry Chemical Physics : Pccp. PMID 29479585 DOI: 10.1039/C7Cp06181A  0.465
2018 Conti S, Cecchini M. Modeling the adsorption equilibrium of small-molecule gases on graphene: effect of the volume to surface ratio. Physical Chemistry Chemical Physics : Pccp. 20: 9770-9779. PMID 29388642 DOI: 10.1039/C7Cp08047F  0.77
2016 Conti S, Cecchini M. Predicting molecular self-assembly at surfaces: a statistical thermodynamics and modeling approach. Physical Chemistry Chemical Physics : Pccp. 18: 31480-31493. PMID 27827496 DOI: 10.1039/C6Cp05249E  0.772
2016 Conti S, del Rosso MG, Ciesielski A, Weippert J, Böttcher A, Shin Y, Melinte G, Ersen O, Casiraghi C, Feng X, Müllen K, Kappes MM, Samorì P, Cecchini M. Cover Picture: Perchlorination of Coronene Enhances its Propensity for Self-Assembly on Graphene (ChemPhysChem 3/2016) Chemphyschem. 17: 328-328. DOI: 10.1002/Cphc.201600058  0.777
2015 Conti S, Del Rosso MG, Ciesielski A, Weippert J, Böttcher A, Shin Y, Melinte G, Ersen O, Casiraghi C, Feng X, Kappes MM, Samorì P, Müllen K, Cecchini M. Perchlorination of Coronene Enhances its Propensity to Self-Assembly on Graphene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26663716 DOI: 10.1002/Cphc.201501113  0.805
2015 El Garah M, Dianat A, Cadeddu A, Gutierrez R, Cecchini M, Cook TR, Ciesielski A, Stang PJ, Cuniberti G, Samorì P. Atomically Precise Prediction of 2D Self-Assembly of Weakly Bonded Nanostructures: STM Insight into Concentration-Dependent Architectures. Small (Weinheim An Der Bergstrasse, Germany). PMID 26596683 DOI: 10.1002/Smll.201502957  0.61
2015 Haar S, Ciesielski A, Clough J, Yang H, Mazzaro R, Richard F, Conti S, Merstorf N, Cecchini M, Morandi V, Casiraghi C, Samorì P. Graphene: 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 (small 14/2015). Small (Weinheim An Der Bergstrasse, Germany). 11: 1736. PMID 25846682 DOI: 10.1002/Smll.201570083  0.72
2015 Esque J, Cecchini M. Accurate calculation of conformational free energy differences in explicit water: the confinement-solvation free energy approach. The Journal of Physical Chemistry. B. 119: 5194-207. PMID 25807150 DOI: 10.1021/Acs.Jpcb.5B01632  0.31
2015 Bonacchi S, El Garah M, Ciesielski A, Herder M, Conti S, Cecchini M, Hecht S, Samorì P. Surface-induced selection during in situ photoswitching at the solid/liquid interface. Angewandte Chemie (International Ed. in English). 54: 4865-9. PMID 25728405 DOI: 10.1002/Anie.201412215  0.736
2015 Haar S, Ciesielski A, Clough J, Yang H, Mazzaro R, Richard F, Conti S, Merstorf N, Cecchini M, Morandi V, Casiraghi C, Samorì P. 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. Small (Weinheim An Der Bergstrasse, Germany). 11: 1691-702. PMID 25504589 DOI: 10.1002/Smll.201402745  0.751
2015 Conti S, Cecchini M. Accurate and Efficient Calculation of the Desorption Energy of Small Molecules from Graphene The Journal of Physical Chemistry C. 119: 1867-1879. DOI: 10.1021/Jp5104774  0.734
2014 Taly A, Hénin J, Changeux JP, Cecchini M. Allosteric regulation of pentameric ligand-gated ion channels: an emerging mechanistic perspective. Channels (Austin, Tex.). 8: 350-60. PMID 25478624 DOI: 10.4161/Chan.29444  0.3
2013 Calimet N, Simoes M, Changeux JP, Karplus M, Taly A, Cecchini M. A gating mechanism of pentameric ligand-gated ion channels. Proceedings of the National Academy of Sciences of the United States of America. 110: E3987-96. PMID 24043807 DOI: 10.1073/Pnas.1313785110  0.424
2013 Ovchinnikov V, Cecchini M, Karplus M. A simplified confinement method for calculating absolute free energies and free energy and entropy differences. The Journal of Physical Chemistry. B. 117: 750-62. PMID 23268557 DOI: 10.1021/Jp3080578  0.451
2012 Palma CA, Cecchini M, Samorì P. Predicting self-assembly: from empirism to determinism. Chemical Society Reviews. 41: 3713-30. PMID 22430648 DOI: 10.1039/C2Cs15302E  0.758
2012 Palma CA, Cecchini M, Samorì P. Predicting self-assembly: From empirism to determinism Chemical Society Reviews. 41: 3713-3730. DOI: 10.1039/c2cs15302e  0.728
2011 Ovchinnikov V, Cecchini M, Vanden-Eijnden E, Karplus M. A conformational transition in the myosin VI converter contributes to the variable step size. Biophysical Journal. 101: 2436-44. PMID 22098742 DOI: 10.1016/J.Bpj.2011.09.044  0.446
2011 Ciesielski A, Cadeddu A, Palma CA, Gorczyński A, Patroniak V, Cecchini M, Samorì P. Self-templating 2D supramolecular networks: A new avenue to reach control over a bilayer formation Nanoscale. 3: 4125-4129. PMID 21792434 DOI: 10.1039/C1Nr10485C  0.751
2010 Palma CA, Samorì P, Cecchini M. Atomistic simulations of 2D bicomponent self-assembly: from molecular recognition to self-healing. Journal of the American Chemical Society. 132: 17880-5. PMID 21114285 DOI: 10.1021/Ja107882E  0.755
2010 Cecchini M, Alexeev Y, Karplus M. Pi release from myosin: a simulation analysis of possible pathways. Structure (London, England : 1993). 18: 458-70. PMID 20399183 DOI: 10.1016/J.Str.2010.01.014  0.43
2010 Björk J, Hanke F, Palma CA, Samori P, Cecchini M, Persson M. Adsorption of aromatic and anti-aromatic systems on graphene through π-π Stacking Journal of Physical Chemistry Letters. 1: 3407-3412. DOI: 10.1021/Jz101360K  0.724
2010 Spichty M, Cecchini M, Karplus M. Conformational free-energy difference of a miniprotein from nonequilibrium simulations Journal of Physical Chemistry Letters. 1: 1922-1926. DOI: 10.1021/Jz1005016  0.466
2010 Palma CA, Samorì P, Cecchini M. Atomistic simulations of 2D bicomponent self-assembly: From molecular recognition to self-healing Journal of the American Chemical Society. 132: 17880-17885. DOI: 10.1021/ja107882e  0.738
2009 Cecchini M, Krivov SV, Spichty M, Karplus M. Calculation of free-energy differences by confinement simulations. Application to peptide conformers. The Journal of Physical Chemistry. B. 113: 9728-40. PMID 19552392 DOI: 10.1021/Jp9020646  0.485
2008 Cecchini M, Houdusse A, Karplus M. Allosteric communication in myosin V: from small conformational changes to large directed movements. Plos Computational Biology. 4: e1000129. PMID 18704171 DOI: 10.1371/Journal.Pcbi.1000129  0.429
2007 Seeber M, Cecchini M, Rao F, Settanni G, Caflisch A. Wordom: A program for efficient analysis of molecular dynamics simulations Bioinformatics. 23: 2625-2627. PMID 17717034 DOI: 10.1093/Bioinformatics/Btm378  0.507
2006 Huang D, Lüthi U, Kolb P, Cecchini M, Barberis A, Caflisch A. In silico discovery of beta-secretase inhibitors. Journal of the American Chemical Society. 128: 5436-43. PMID 16620115 DOI: 10.1021/Ja0573108  0.676
2006 Cecchini M, Curcio R, Pappalardo M, Melki R, Caflisch A. A molecular dynamics approach to the structural characterization of amyloid aggregation. Journal of Molecular Biology. 357: 1306-21. PMID 16483608 DOI: 10.1016/J.Jmb.2006.01.009  0.52
2005 Huang D, Lüthi U, Kolb P, Edler K, Cecchini M, Audetat S, Barberis A, Caflisch A. Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations. Journal of Medicinal Chemistry. 48: 5108-11. PMID 16078830 DOI: 10.1021/Jm050499D  0.663
2004 Cecchini M, Rao F, Seeber M, Caflisch A. Replica exchange molecular dynamics simulations of amyloid peptide aggregation Journal of Chemical Physics. 121: 10748-10756. PMID 15549960 DOI: 10.1063/1.1809588  0.509
2004 Cecchini M, Kolb P, Majeux N, Caflisch A. Automated docking of highly flexible ligands by genetic algorithms: a critical assessment. Journal of Computational Chemistry. 25: 412-22. PMID 14696075 DOI: 10.1002/Jcc.10384  0.663
2003 Berardi R, Cecchini M, Zannoni C. A Monte Carlo study of the chiral columnar organizations of dissymmetric discotic mesogens Journal of Chemical Physics. 119: 9933-9946. DOI: 10.1063/1.1616913  0.319
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