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Molecular dynamics simulations of metalloproteins
1Department of Chemistry & CERM, University of Florence Via L. Sacconi 6, 50019 Sesto Fiorentino (FI), Italy. banci@cerm.unifi.it
Current Opinion in Chemical Biology
|January 28, 2003
Abstract:
Molecular dynamics simulations are now commonly applied to metalloproteins, despite the challenges introduced by the presence of metal ions. Force field parameters are nowadays available also for these 'exotic' atoms and several biological systems have been successfully studied. Some of the most relevant results and methodological advancements are reviewed.