Andrea Cavalli

Jacopo Sgrignani, Claudia Bonaccini, Giovanni Grazioso, Matteo Chioccioli, Andrea Cavalli, Paola Gratteri: Insights into docking and scoring neuronal alpha4beta2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations. Journal of Computational Chemistry 30(15): 2443-2454 (2009)

Matteo Masetti, Andrea Cavalli, Maurizio Recanatini: Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies. Journal of Computational Chemistry 29(5): 795-808 (2008)

Giovanni Grazioso, Andrea Cavalli, Marco De Amici, Maurizio Recanatini, Carlo De Micheli: Alpha7 nicotinic acetylcholine receptor agonists: Prediction of their binding affinity through a molecular mechanics Poisson-Boltzmann surface area approach. Journal of Computational Chemistry 29(15): 2593-2602 (2008)

Giovanni Bottegoni, Andrea Cavalli, Maurizio Recanatini: A Comparative Study on the Application of Hierarchical-Agglomerative Clustering Approaches to Organize Outputs of Reiterated Docking Runs. Journal of Chemical Information and Modeling 46(2): 852-862 (2006)

Giovanni Bottegoni, Walter Rocchia, Maurizio Recanatini, Andrea Cavalli: AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets. ISMB (Supplement of Bioinformatics) 2006: 58-65

Bennet Uk, Michela Taufer, Thomas Stricker, Giovanni Settanni, Andrea Cavalli, Amedeo Caflisch: Combining Task- and Data Parallelism to Speed up Protein Folding on a Desktop Grid Platform. CCGRID 2003: 240-247

Bennet Uk, Michela Taufer, Thomas Stricker, Giovanni Settanni, Andrea Cavalli: Implementation and Characterization of Protein Folding on a Desktop Computational Grid - Is CHARMM a Suitable Candidate for the United Devices MetaProcessor? IPDPS 2003: 50

Michela Taufer, Egon Perathoner, Andrea Cavalli, Amedeo Caflisch, Thomas Stricker: Performance Characterization of a Molecular Dynamics Code on PC Clusters: Is There Any Easy Parallelism in CHARMM?. IPDPS 2002