Molecular dynamics simulations of metalloproteins.
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.
Banci
Lucia
L
Department of Chemistry & CERM, University of Florence Via L. Sacconi 6, 50019 Sesto Fiorentino (FI), Italy. banci@cerm.unifi.it
D001665:Binding Sites; D003198:Computer Simulation; D008667:Metalloproteins / Q000737:chemistry*; D008958:Models, Molecular; D009038:Motion; D013379:Substrate Specificity
D008667:Metalloproteins