Simulation details.
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https://figshare.com/articles/dataset/_Simulation_details_/1068309
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aSide chain dihedral angels of the Trp6 residue was weakly restrained towards the conformation in the native folded structure (see Methods).
bSimulation started from native structure but with the side chain dihedrals of Trp6 residue in non-native side chain conformation (flipped by 180° from its native rotameric state).
创建时间：
2014-02-07
