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Paolo Carloni Telephone : 0039-040-3787-407 Fax : 0039-040-3787-528 Office : Main building, Room 209 e-mail : carloni@sissa.it |
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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).
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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).
- 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).
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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).
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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).
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Jurg Hutter, Paolo Carloni and Michele Parrinello
Non--empirical Calculations on a Hydrated RNA duplex
J. Am. Chem. Soc. 18, 8710-8712 (1996).
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Paolo Carloni and Wanda Andreoni
Platinum--Modified Nucleobase Pairs in the Solid State: A Theoretical Study
J. Phys. Chem.,17797 - 17800 (1996).
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Paolo Carloni, Wanda Andreoni and Michele Parrinello
Self-Assembled Peptide Nanotubes from first Principles
Phys. Rev. Lett., 79, 761-764 (1997).
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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.