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IRIS è il sistema di gestione integrata dei dati della ricerca (persone, progetti, pubblicazioni, attività) adottato dall'Università degli Studi di Cagliari dal mese di luglio 2015.

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TitoloData di pubblicazioneAutore(i)RivistaEditore
simulation of a protein crystal at constant pressure1997CECCARELLI M; M. MARCHIJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
molecular dynamics simulation of POPC at low hydration near the liquid crystal phase transition1998CECCARELLI M; M. MARCHIBIOCHIMIE
a density functional normal mode calculation of a bacteriochlorophyll a derivative2000CECCARELLI M; M. LUTZ; M. MARCHIJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Empirical force field for the simulation of a class of chromophores in a photosynthetic center2001CECCARELLI M; P. PROCACCI; M. MARCHICOMPUTATIONAL MATERIALS SCIENCE
Dynamics of hydration in Hen Egg white lysozime2001F. STERPONE; CECCARELLI M; M. MARCHIJOURNAL OF MOLECULAR BIOLOGY
water rotational relaxation and diffusion in hydrated lysozyme2002M. MARCHI; F. STERPONE; CECCARELLI MJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Simulation and modeling of the rhodobacter sphaeroides bacterial reaction center: structure and interaction2003CECCARELLI M; M. MARCHIJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
SIMULATION AND MODELING OF THE RHODOBACTER SPHAEROIDES BACTERIAL REACTION CENTER: primary charge separation2003CECCARELLI M; M. MARCHIJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
An ab initio force field for teh cofactors of bacterial photosynthesis2003CECCARELLI M; P. PROCACCI; M. MARCHIJOURNAL OF COMPUTATIONAL CHEMISTRY
Linear response and electron transfer in complex biomolecular systems and a reaction center protein2003F. STERPONE; CECCARELLI M; M. MARCHIJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
A concerted variational strategy for investigating rare events2003D. PASSERONE; CECCARELLI M; M. PARRINELLOTHE JOURNAL OF CHEMICAL PHYSICS
Microscopic mechanism of antibiotics translocation through a porin2004Ceccarelli, MatteoABSTRACTS OF PAPERS - AMERICAN CHEMICAL SOCIETY
Microscopic mechanism of antibiotics translocation through a porin2004CECCARELLI M; C. DANELON; A. LAIO; M. PARRINELLOBIOPHYSICAL JOURNAL
Molecular modeling and simulation of a reaction center protein2004CECCARELLI M; M. SOUAILLE; M. MARCHIRalph A. Wheeler
A second case of hemoglobin Duarte [beta62 (E6) Ala→Pro]: New approach for the structural and functional characterization2005Maccioni A; Anedda R; Era B; Sollaino MC; Ceccarelli M; Fais A; Casu M
Nonperiodic boundary conditions for solvated systems2005PETRAGLIO G.; CECCARELLI M; PARRINELLO M.THE JOURNAL OF CHEMICAL PHYSICS
The microscopic switching mechanism of a [2]catenane2005CECCARELLI M; F. MERCURI; D. PASSERONE; M. PARRINELLOJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Structure-function relationship in a naturally occurring mutated hemoglobin: a combined numerical-experimental approach2005Anedda R; Casu M; Fais A; Era B; Maccioni A; Porcu S; Corda M; Ceccarelli M; Ruggerone P
Structural analysis of cavities in myoglobin via NMR and numerical simulations.2005Era B; Casu M; Ceccarelli M; Corda M; Fais A; Ruggerone P; Anedda R
Assessing the accuracy of metadynamics2005A. LAIO; A. RODRIGUEZ-FORTEA; F.L. GERVASIO; CECCARELLI M; M. PARRINELLOJOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
   
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