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.
Molecular dynamics simulations of metalloproteins / L.Banci. - In: CURRENT OPINION IN CHEMICAL BIOLOGY. - ISSN 1367-5931. - STAMPA. - 7:(2003), pp. 143-149. [10.1016/S1367-5931(02)00014-5]
Molecular dynamics simulations of metalloproteins
BANCI, LUCIA
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.
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