Quantitative structure property relationship (QSPR)
A data frame with the following parameters:
AA amino acid
PIE lipophilicity constant of the AA side chain
PIF lipophilicity constant of the AA side chain
DGR free energy of transfer of an AA side chain from protein interior to water
SAC water-accessible surface area of AA's calculated by MOLSV
MR molecular refractivity
Lam polarity parameter
Vol molecular volume of AA's calculated by MOLSV
DDGTS free energy of unfolding of the tryptophane synthase a unit of bacteriophage T4 lysosome
Data frame (numeric type except the first column, which can be transformed into row names) with 19 rows and the 9 columns contaning information about amino acids. For details see the 'Format' section above.
Wold et al. (2001). PLS-regression: a basic tool of chemometrics. Chemometrics and Intelligent Laboratory Systems. 58:109-130.
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