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  1. New features of the RootProf program for model-free analysis of unidimensional profiles

    Article • Journal of Applied Crystallography, October 2023, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  2. Towards the extraction of the crystal cell parameters from pair distribution function profiles

    Article • IUCrJ, September 2023, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  3. Investigating temperature-induced structural changes of lead halide perovskites by in situ X-ray powder diffraction

    Article • Journal of Applied Crystallography, September 2019, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  4. Dynamic characterization of structural changes in vapochromic compounds by pair distribution function

    Article • Powder Diffraction, February 2017, Cambridge University Press

    PhD Dr. Rocco Caliandro

  5. Tailored multivariate analysis for modulated enhanced diffraction

    Article • Journal of Applied Crystallography, October 2015, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  6. RootProf: software for multivariate analysis of unidimensional profiles

    Article • Journal of Applied Crystallography, May 2014, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  7. Crystal structure of thrombin in complex with a novel tetra-O-acetyl-glucopyranoside-conjugated potent inhibitor

    Article • January 2014, Protein Data Bank, Rutgers University

    PhD Dr. Rocco Caliandro

  8. A combined approach for characterisation of fresh and brined vine leaves by X-ray powder diffraction, NMR spectroscopy and direct infusion high resolution mass spectrometry

    Article • Food Chemistry, December 2013, Elsevier

    PhD Dr. Rocco Caliandro

  9. Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor

    Article • October 2013, Protein Data Bank, Rutgers University

    PhD Dr. Rocco Caliandro

  10. Tailored Hydrogel Membranes for Efficient Protein Crystallization

    Article • Advanced Functional Materials, October 2013, Wiley

    PhD Dr. Rocco Caliandro, Professor Enrico Drioli

  11. Synthesis and Biological Evaluation of Direct Thrombin Inhibitors Bearing 4-(Piperidin-1-yl)pyridine at the P1 Position with Potent Anticoagulant Activity

    Article • Journal of Medicinal Chemistry, October 2013, American Chemical Society (ACS)

    PhD Dr. Rocco Caliandro, PhD Andrea Carotti

  12. A Molecular Dynamics Simulation-Based Interpretation of Nuclear Magnetic Resonance Multidimensional Heteronuclear Spectra of α-Synuclein·Dopamine Adducts

    Article • Biochemistry, September 2013, American Chemical Society (ACS)

    PhD Dr. Rocco Caliandro

  13. Cobalt binding in the photosynthetic bacterium R. sphaeroides by X-ray absorption spectroscopy

    Article • BioMetals, June 2013, Springer Science + Business Media

    PhD Dr. Rocco Caliandro

  14. Protein crystallography and fragment-based drug design

    Article • Future Medicinal Chemistry, June 2013, Future Science

    PhD Dr. Rocco Caliandro

  15. Structure of MMP3 complexed with NNGH inhibitor.

    Article • May 2013, Protein Data Bank, Rutgers University

    PhD Dr. Rocco Caliandro

  16. Multivariate analysis of quaternary carbamazepine–saccharin mixtures by X-ray diffraction and infrared spectroscopy

    Article • Journal of Pharmaceutical and Biomedical Analysis, May 2013, Elsevier

    PhD Dr. Rocco Caliandro

  17. Structure of MMP3 complexed with a platinum-based inhibitor

    Article • February 2013, Protein Data Bank, Rutgers University

    PhD Dr. Rocco Caliandro

  18. Structure of MMP3 complexed with a platinum-based inhibitor.

    Article • February 2013, Protein Data Bank, Rutgers University

    PhD Dr. Rocco Caliandro

  19. Structure of matrix metalloproteinase-3 with a platinum-based inhibitor

    Article • Chemical Communications, January 2013, Royal Society of Chemistry

    PhD Dr. Rocco Caliandro

  20. Insights into the polymorphism of glycine: membrane crystallization in an electric field

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    PhD Dr. Rocco Caliandro, Professor Enrico Drioli

  21. On the use of theCmap in Patterson deconvolution procedures

    Article • Acta Crystallographica Section A Foundations of Crystallography, November 2012, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  22. Local Fluctuations and Conformational Transitions in Proteins

    Article • Journal of Chemical Theory and Computation, October 2012, American Chemical Society (ACS)

    PhD Dr. Rocco Caliandro

  23. C0264 Protein Z mutations in patients with fetal losses: Structural analysis

    Article • Thrombosis Research, October 2012, Elsevier

    PhD Dr. Rocco Caliandro

  24. Selecting the Desired Solid Form by Membrane Crystallizers: Crystals or Cocrystals

    Article • Crystal Growth & Design, July 2012, American Chemical Society (ACS)

    PhD Dr. Rocco Caliandro, Professor Enrico Drioli

  25. Untangling diffraction intensity: modulation enhanced diffraction on ZrO2powder

    Article • Journal of Applied Crystallography, June 2012, International Union of Crystallography

    PhD Dr. Rocco Caliandro, Dr marco milanesio

  26. Patterson selectivity by modulation-enhanced diffraction

    Article • Journal of Applied Crystallography, May 2012, International Union of Crystallography

    PhD Dr. Rocco Caliandro, Dr marco milanesio

  27. SIR2011: a new package for crystal structure determination and refinement

    Article • Journal of Applied Crystallography, February 2012, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  28. Computational studies on a new cationic peroxidase isoenzyme from artichoke leaves

    Article • Bioengineered, January 2012, Taylor & Francis

    PhD Dr. Rocco Caliandro

  29. Automatic α-helix identification in Patterson maps

    Article • Acta Crystallographica Section D Biological Crystallography, December 2011, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  30. Common Structural Traits across Pathogenic Mutants of the Human Prion Protein and Their Implications for Familial Prion Diseases

    Article • Journal of Molecular Biology, August 2011, Elsevier

    PhD Dr. Rocco Caliandro

  31. Kinematic diffraction on a structure with periodically varying scattering function

    Article • Acta Crystallographica Section A Foundations of Crystallography, May 2011, International Union of Crystallography

    PhD Dr. Rocco Caliandro, Dr marco milanesio

  32. Automatic identification of alpha-helices in X-ray diffraction patterns

    Article • May 2011, Institute of Electrical & Electronics Engineers (IEEE)

    PhD Dr. Rocco Caliandro

  33. Purification, biochemical characterization and cloning of a new cationic peroxidase isoenzyme from artichoke

    Article • Plant Physiology and Biochemistry, April 2011, Elsevier

    PhD Dr. Rocco Caliandro

  34. Direct production of carbamazepine–saccharin cocrystals from water/ethanol solvent mixtures by membrane-based crystallization technology

    Article • CrystEngComm, January 2011, Royal Society of Chemistry

    PhD Dr. Rocco Caliandro, Professor Enrico Drioli

  35. Crystallographic Analysis of Metal‐Ion Binding to Human Ubiquitin

    Article • Chemistry - A European Journal, December 2010, Wiley

    PhD Dr. Rocco Caliandro

  36. Ribosome-Inactivating Proteins: From Plant Defense to Tumor Attack

    Article • Toxins, November 2010, MDPI AG

    PhD Dr. Rocco Caliandro

  37. New computational tools for H/D determination in macromolecular structures from neutron data

    Article • Acta Crystallographica Section D Biological Crystallography, October 2010, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  38. The difference electron density: a probabilistic reformulation

    Article • Acta Crystallographica Section A Foundations of Crystallography, March 2010, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  39. Fine Dosage of Antisolvent in the Crystallization of l-Histidine: Effect on Polymorphism

    Article • Crystal Growth & Design, October 2009, American Chemical Society (ACS)

    PhD Dr. Rocco Caliandro, Professor Enrico Drioli

  40. Molecular replacement: the probabilistic approach of the programREMO09and its applications

    Article • Acta Crystallographica Section A Foundations of Crystallography, October 2009, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  41. EDM–DEDM and protein crystal structure solution

    Article • Acta Crystallographica Section D Biological Crystallography, April 2009, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  42. Crystal structure solution of small-to-medium-sized molecules at non-atomic resolution

    Article • Journal of Applied Crystallography, March 2009, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  43. Advances in the EDM–DEDM procedure

    Article • Acta Crystallographica Section D Biological Crystallography, February 2009, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  44. The (Fo−Fc) Fourier synthesis: a probabilistic study

    Article • Acta Crystallographica Section A Foundations of Crystallography, August 2008, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  45. Ab initiophasing 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

    Article • Journal of Applied Crystallography, April 2008, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  46. Direct methods and simulated annealing: a hybrid approach for powder diffraction data

    Article • Journal of Applied Crystallography, January 2008, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  47. Chapter 8. Crystal Structure Determination

    Article • January 2008, Royal Society of Chemistry

    PhD Dr. Rocco Caliandro

  48. Expo2006: A Tool for Powder Crystallography

    Article • December 2007, CrossRef Test Account

    PhD Dr. Rocco Caliandro

  49. Expo2006: A Tool for Powder Crystallography

    Article • Solid State Phenomena, December 2007, Trans Tech Publications

    PhD Dr. Rocco Caliandro

  50. Advances inab initioprotein phasing by Patterson deconvolution techniques

    Article • Journal of Applied Crystallography, September 2007, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  51. Advances in thefree lunchmethod

    Article • Journal of Applied Crystallography, September 2007, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  52. The revenge of the Patterson methods. III.Ab initiophasing from powder diffraction data

    Article • Journal of Applied Crystallography, September 2007, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  53. IL MILIONE: a suite of computer programs for crystal structure solution of proteins

    Article • Journal of Applied Crystallography, May 2007, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  54. The revenge of the Patterson methods. II. Substructure applications

    Article • Journal of Applied Crystallography, March 2007, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  55. Use of Patterson-based methods automatically to determine the structures of heavy-atom-containing proteins with up to 6000 non-hydrogen atoms in the asymmetric unit

    Article • Journal of Applied Crystallography, September 2006, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  56. The revenge of the Patterson methods. I. Proteinab initiophasing

    Article • Journal of Applied Crystallography, July 2006, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  57. Molecular replacement: the approach of the programREMO

    Article • Journal of Applied Crystallography, March 2006, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  58. Ab initiophasing at resolution higher than experimental resolution

    Article • Acta Crystallographica Section D Biological Crystallography, July 2005, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  59. The partial structure with errors: a probabilistic treatment

    Article • Acta Crystallographica Section A Foundations of Crystallography, April 2005, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  60. Phasing at resolution higher than the experimental resolution

    Article • Acta Crystallographica Section D Biological Crystallography, April 2005, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  61. SIR2004: an improved tool for crystal structure determination and refinement

    Article • Journal of Applied Crystallography, March 2005, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  62. Automatic structure determination from powder data withEXPO2004

    Article • Journal of Applied Crystallography, November 2004, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  63. Space-group determination from powder diffraction data: a probabilistic approach

    Article • Journal of Applied Crystallography, November 2004, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  64. About the efficiency of the early FOMs inab initioprotein phasing

    Article • Journal of Applied Crystallography, September 2004, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  65. THE USE OF GEOMETRICAL INFORMATION IN THE AB-INITIO POWDER STRUCTURE SOLUTION BY DIRECT METHODS

    Article • April 2004, World Scientific Pub Co Pte Lt

    PhD Dr. Rocco Caliandro

  66. The use of error-correcting codes for the decomposition of a powder diffraction pattern

    Article • Journal of Applied Crystallography, March 2004, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  67. Ab initioprotein phasing: the Patterson deconvolution method inSIR2002

    Article • Journal of Applied Crystallography, March 2004, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  68. Towards EXPO2005

    Article • Zeitschrift für Kristallographie - Crystalline Materials, January 2004, De Gruyter

    PhD Dr. Rocco Caliandro

  69. Ab initioprotein phasing at 1.4 Å resolution: the new phasing approach ofSIR2003-N

    Article • Acta Crystallographica Section A Foundations of Crystallography, October 2003, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  70. A systematic procedure for the decomposition of a powder diffraction pattern

    Article • Journal of Applied Crystallography, May 2003, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  71. Solution of organic crystal structures from powder diffraction by combining simulated annealing and direct methods

    Article • Journal of Applied Crystallography, March 2003, International Union of Crystallography

    PhD Dr. Rocco Caliandro

  72. Hyperon production in proton-lead and lead-lead collisions at 158 GeV/c per nucleon

    Article • Czechoslovak Journal of Physics, January 1998, Springer Science + Business Media

    PhD Dr. Rocco Caliandro

  73. Direct Methods Versus Electron Diffraction : The First Experiences by SIR97

    Article • January 1997, Springer Science + Business Media

    PhD Dr. Rocco Caliandro