Effective potentials for folding proteins |
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Authors: | Chen Nan-Yow Su Zheng-Yao Mou Chung-Yu |
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Affiliation: | Institute of Physics, Academia Sinica, Nankang, Taipei 11529, Taiwan. |
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Abstract: | A coarse-grained off-lattice model that is not biased in any way to the native state is proposed to fold proteins. To predict the native structure in a reasonable time, the model has included the essential effects of water in an effective potential. Two new ingredients, the dipole-dipole interaction and the local hydrophobic interaction, are introduced and are shown to be as crucial as the hydrogen bonding. The model allows successful folding of the wild-type sequence of protein G and may have provided important hints to the study of protein folding. |
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