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★ ★ ★ ★ ★ zjm022243(金币+3):谢谢,能帮我翻译成中文么 zjm022243(金币+2):thank u
Zimm-Bragg model
http://www.answers.com/topic/zimm-bragg-model
Go model is based on coarse-grained molecular dynamics on the residue level with the energy function biased towards the native binding structure (Go model). With the model, the underlying free-energy landscape of the protein binding can be further explored.
Go model is a simplified realization of landscape theory. It emphasizes the role of topology and native structures in determining the dynamic mechanisms. The energy function is chosen according to the native binding complex structure. In other words, the interaction energies among native contacts are uniformly attractive (often scale to value 1) stabilizing the native complex structure and the interactions of the non-native contacts are simply chosen to be zero value of energy (no bias towards the native structure). The potential can be implemented on lattice or off lattice simulations. In protein folding studies, people have implemented the Go potential for lattice, and off lattice simulations at the residue and atomic level. In this proposal, we will apply the atomic level Go potentials to study the binding-folding coupling dynamics by performing off lattice simulations. The advantage of the off lattice over lattice simulations is that the details such as the local secondary structures can be explicitly studied. The advantage of the atomic over residue level Go Model simulations is that the details such as local side chain packing can be explicitly studied. In our investigation, we will adapt the atomic Go model from our folding studies to binding and perform simulations taking into account of the microscopic details.
http://www.sunysb.edu/seawulfcluster/luqia.shtml
[ Last edited by IDname on 2007-1-14 at 17:07 ] |
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