Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10871853 | FEBS Letters | 2011 | 5 Pages |
Abstract
In this paper, we propose a novel force field parameter optimization method based on LSSVR and optimize the torsion energy parameters of ECEPP force field. In this method force field parameter optimization problem is turned into a support vector regression problem. Protein samples for regression model training are chosen from Protein Data Bank. The experiments show that the optimized force-field parameters make both α-helix and β-hairpin structures more consistent with the experimental implications than the original parameters.
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Authors
Yunling Liu, Lan Tao, Jianjun Lu, Shuo Xu, Qin Ma, Qingling Duan,