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Prog. Theor. Phys. Supplement No.138 (2000) pp. 366-371
Simulating Folding of Helical Proteins with Coarse Grained Models
Shoji Takada
Department of Chemistry, Kobe University, Kobe 657-8501, Japan
(Received October 11, 1999)
Abstract:
We describe how potential parameters in a coarse graind model
of proteins can be optimized with use of available protein three
dimensional database. With this optimized potentials, we simulated
a three helix bundle protein and found that all trajectories
reach at the native structure within 1 microsecond. Interestingly,
a quasi-mirror image is successfully discriminated from the native
topology.
URL :
http://ptp.ipap.jp/link?PTPS/138/366/
DOI : 10.1143/PTPS.138.366
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