Insights into docking and scoring neuronal alpha4beta2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations.
Sgrignani J, Bonaccini C, Grazioso G, Chioccioli M, Cavalli A, Gratteri P, J Comput Chem, 2009 Nov 30 - link

Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies.
Masetti M, Cavalli A, Recanatini M, J Comput Chem, 2008 Apr 15 - link

A comparative study on the application of hierarchical-agglomerative clustering approaches to organize outputs of reiterated docking runs.
Bottegoni G, Cavalli A, Recanatini M, J Chem Inf Model, 2006 Mar-Apr - link

Amino acids of the alpha1B-adrenergic receptor involved in agonist binding: differences in docking catecholamines to receptor subtypes.
Cavalli A, Fanelli F, Taddei C, De Benedetti PG, Cotecchia S, FEBS Lett, 1996 Dec 9 - link