AACPSA: CPSA Descriptors for 20 Amino Acids calculated by Discovery...
In nanxstats/Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery
AACPSA R Documentation
CPSA Descriptors for 20 Amino Acids calculated by Discovery Studio
Description
CPSA Descriptors for 20 Amino Acids calculated by Discovery Studio
Details
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.
Value
AACPSA data
Examples
data(AACPSA)
nanxstats/Rcpi documentation built on Sept. 24, 2024, 9:36 a.m.
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| AACPSA | R Documentation |
CPSA Descriptors for 20 Amino Acids calculated by Discovery Studio
Description
CPSA Descriptors for 20 Amino Acids calculated by Discovery Studio
Details
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.
Value
AACPSA data
Examples
data(AACPSA)
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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