Publications

2014

Allosteric regulation of pentameric ligand-gated ion channels: an emerging mechanistic perspective. Channels (Austin), in press. Authors: Taly A, Hénin J, Changeux JP & Cecchini M.

2013

On the gating mechanism of pentameric ligand-gated ion channels. Proc Natl Acad Sci USA 2013, 110:E3987-E3996. Authors: Calimet N, Simoes M, Changeux JP, Karplus M, Taly A & Cecchini M. [pdf]

A simplified confinement method for calculating absolute free energies and free energy and entropy differences. J Phys Chem B 2013, 117:750-762. Authors: Ovchinnikov V, Cecchini M & Karplus M [pdf]

2012

Predicting self-assembly: from empirism to determinism. Chem Soc Rev 2012, 41:3713-30. Authors: Palma CA, Cecchini M & Samorì P [pdf] [supp]

2011

A conformational transition in the myosin VI converter contributes to the variable step size. Biophys J 2011, 101:2436-2444. Authors: Ovchinnikov V, Cecchini M, Vanden-Ejinden E & Karplus M [pdf]

Self-templating 2D supramolecular networks: A new avenue to reach control over a bilayer formation. Nanoscale 2011, 3:4125-4129. Authors: Ciesielski A, Cadeddu A, Palma CA, Gorczyński A, Patroniak V, Cecchini M & Samorì P [pdf]

2010

Atomistic simulations of 2D bi-component self-assembly: From molecular recognition to self-healing. J Am Chem Soc 2010, 132:17880-85. Authors: Palma CA, Samorì P & Cecchini M[pdf]

Adsorption of aromatic and anti-aromatic systems on graphene through

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