CPSA Descriptors for 20 Amino Acids calculated by Discovery Studio
This dataset includes the CPSA descriptors of the 20 amino acids
calculated by Discovery Studio (version 2.5) used for scales extraction
in this package.
All amino acid molecules had also been optimized with
MOE 2011.10 (semiempirical AM1)
before calculating these CPSA descriptors.
The SDF file containing the information of the optimized amino acid molecules
is included in this package. See
OptAA3d for more information.
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