AAMOE3D: 3D Descriptors for 20 Amino Acids calculated by MOE 2011.10
In Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery
Description
Details
Value
Examples
Description
3D Descriptors for 20 Amino Acids calculated by MOE 2011.10
Details
This dataset includes the 3D descriptors of the 20 amino acids
calculated by MOE 2011.10 used for scales extraction in this package.
All amino acid molecules had also been optimized with MOE (semiempirical AM1)
before calculating these 3D descriptors.
The SDF file containing the information of the optimized amino acid molecules
is included in this package. See OptAA3d for more information.
Value
AAMOE3D data
Examples
1
Rcpi documentation built on Nov. 8, 2020, 8:23 p.m.
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Description Details Value Examples
Description
3D Descriptors for 20 Amino Acids calculated by MOE 2011.10
Details
This dataset includes the 3D descriptors of the 20 amino acids
calculated by MOE 2011.10 used for scales extraction in this package.
All amino acid molecules had also been optimized with MOE (semiempirical AM1)
before calculating these 3D descriptors.
The SDF file containing the information of the optimized amino acid molecules
is included in this package. See OptAA3d for more information.
Value
AAMOE3D data
Examples
1 |
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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