Publications

Paolo Carloni Paolo Carloni

Paolo Carloni

Telephone : 0039-040-3787-407

Fax : 0039-040-3787-528

Office : Main building, Room 209

e-mail : carloni@sissa.it



Publication list Publication list

    Selected Publications 1992-1998



  1. Lucia Banci, Paolo Carloni, Giovanni La Penna and Pier Luigi Orioli,
    Molecular Dynamics Studies on Superoxide Dismutase and its Mutants: The Structural and Functional Role of Arg 143
    J. Am. Chem. Soc. 114, 6994--7003 (1992).

  2. Lucia Banci, Ivano Bertini, Paolo Carloni, Claudio Luchinat and Pier Luigi Orioli
    Molecular Dynamics Simulations on HiPIP from Cromatium vinosum and Comparison with NMR Data
    J. Am. Chem. Soc.,114, 10683--10689 (1992).

  3. Lucia Banci, Ivano Bertini, Paolo Carloni, Francesco Capozzi, Stefano Ciurli and Claudio Luchinat
    The Iron--Sulfur Cluster in the Oxidized High Potential Iron Protein from Ectothiorhodospira halophila
    J. Am. Chem. Soc., 115, 3431--3440 (1993).

  4. Lucia Banci, Paolo Carloni, Giovanni Gori Savellini
    Molecular Dynamics Studies on Peroxidases: A Structural Model for Horseradish Peroxidase and a Substrate Adduct
    Biochemistry 33,12356--12366 (1994).

  5. Paolo Carloni, Peter Blochl and Michele Parrinello
    The Electronic Structure of Cu,Zn Superoxide Dismutase Active Site and its interactions with the Substrate
    J. Phys. Chem.99, 1338--1348 (1995).

  6. Jurg Hutter, Paolo Carloni and Michele Parrinello
    Non--empirical Calculations on a Hydrated RNA duplex
    J. Am. Chem. Soc. 18, 8710-8712 (1996).

  7. Paolo Carloni and Wanda Andreoni
    Platinum--Modified Nucleobase Pairs in the Solid State: A Theoretical Study
    J. Phys. Chem.,17797 - 17800 (1996).

  8. Paolo Carloni, Wanda Andreoni and Michele Parrinello
    Self-Assembled Peptide Nanotubes from first Principles
    Phys. Rev. Lett., 79, 761-764 (1997).

  9. Frank Alber, Oliver Kuonen, Leonardo Scapozza, Gerd Folkers and Paolo Carloni
    Density Functional Studies on Herpes Simplex Virus Type 1 Thymidine Kinase-Substrate Interactions: The Role of Tyr 172 and Met 128 in Thymine Fixation
    Proteins Struc. Func. Gen., 1998, 31, 453-459.


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piana@sissa.it