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Comparison of the top 95% of CAA rotamers predicted by the MakeRotLib protocol to the rotamers given by the Dunbrack rotamer library.

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Figshare2015-12-02 更新2026-04-29 收录
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https://figshare.com/articles/dataset/_Comparison_of_the_top_95_of_CAA_rotamers_predicted_by_the_MakeRotLib_protocol_to_the_rotamers_given_by_the_Dunbrack_rotamer_library_/338389
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Low, high, and average values (see methods) are calculated over all φ/ψ bins where the Dunbrack rotamer library reports more than 10 observations. A high percent overlap (see methods) indicates that the rotamers predicted by the MakeRotLib protocol are in agreement with the rotamers predicted by the Dunbrack rotamer library. A low average RMS distance indicates that the dihedral angles for rotamer bins that overlap are in good agreement.
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2015-12-02
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