Rocco Caliandro


Rocco Caliandro.

Rocco Caliandro
Tel +39 080 5929150
Fax +39 080 5929170
Address via Amendola, 122/o 70126 Bari (ITALY)




Present position :

- Staff researcher


Short CV :

1993 Degree in Physics - University of Bari. Study of the heavy-ion collisions at ultra-relativistic energies, CERN WA85 experiment
1995 Research fellow at the Istituto di Ricerca per lo Sviluppo di Metodologie Cristallografiche of CNR
1996-1998 PhD in Physics - University of Bari. Study of the strangeness production, CERN WA97 experiment
1999-2000 Postdoc fellow at the Istituto Nazionale di Fisica Nucleare. Study of the centrality dependence of the strangeness production, CERN NA57 experiment
2001 Research fellow at Physics Dept., University of Bari. Study of the silicon pixel detector designed for the CERN ALICE experiment.
2002 Permanent position as Researcher of the Institute of Crystallography of CNR
2003 Training stage on Molecular replacement techniques at the Chem. Dept., University of Padua
2005 Visiting scientist at the Structural Biology Laboratory of University of York, England.
2008 Visiting scientist at the Paul Scherrer Institute, Switzerland
2009 Scientific recognition from the President of CNR for having achieved, in 2005, excellence and innovative achievements of particular strategic importance
2010 Visiting scientist at the German Research School for Simulation Sciences of Jülich, Germany, granted by the European Science Foundation


Research Activity :

Development of new algorithms for protein crystal structure determination by X-ray diffraction. Macromolecular ab initio phasing: Patterson deconvolution methods, electron density modification methods, Molecular Replacement, extrapolation to non-measured reflections, difference electron density modification, Modulated enhanced diffaction.
Experimental activities of protein crystal structure determination. They include the following steps: a) protein purification via chromatography; b) protein crystallization by hanging drop and sitting drop techniques; c) data taking at synchrotron sources; d) data analysis through the crystallographic software package IL MILIONE to perform initial phasing, phase extension and refinement, model building, completion and refinement; e) model validation and deposition in the Protein Structural Database.
Comparative modeling to predict the structure of new proteins by using their sequence. The procedure has been applied to a new soluble peroxidase isoenzyme recently extracted and purified from artichoke leaves and to human osteoprotegerin.
Molecular Dynamics simulations to predict the effects of genetic mutations of human prion protein related to neurodegenerative disorders.
Development of computational modeling procedures in connection with crystallographic methods directed towards the protein structure determination. The activities include: ab initio modeling procedures to generate structural models for molecular replacement phasing method; development of procedures to build structural models from electron density maps; development of procedures to identify the presence and orientation of α-elices in the Patterson map.


Selected publications :

Caliandro R, Carrozzini B, Cascarano GL, De Caro L, Giacovazzo C, Mazzone A, Siliqi D (2008)
Ab initio phasing of proteins with heavy atoms at non-atomic resolution: pushing the size limit of solvable structures up to 7890 non-H atoms in the asymmetric unit
J. Appl. Cryst. 41, 548-553

Burla MC, Caliandro R, Camalli M, Carrozzini B, Cascarano GL, De Caro L, Giacovazzo C, Polidori G, Siliqi, D, Spagna R (2007)
IL MILIONE: a suite of computer programs for crystal structure solution of proteins
J. Appl. Cryst. 40, 609-613

Caliandro R, Carrozzini B, Cascarano GL, De Caro L, Giacovazzo C, Siliqi D (2005)
Phasing at resolution higher than the experimental resolution
Acta Crys.t D 61, 556-565

Burla, M. C. Caliandro, R. Carrozzini, B. Cascarano, G. L. De Caro, L. Giacovazzo C., Polidori G. (2004)
Ab initio protein phasing: the Patterson deconvolution method in SIR2002.
J. Appl. Cryst. 37, 258-264.

Altomare, A. Caliandro, R. Giacovazzo, C. Moliterni A. G. G. Rizzi R. (2003).
Solution of organic crystal structures from powder diffraction by combining simulated annealing and direct methods.
J. Appl. Cryst. 36, 230-238.


Last Updated (Tuesday, 10 June 2014 09:51)