ISSN:
0192-8651
Keywords:
Computational Chemistry and Molecular Modeling
;
Biochemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Computer Science
Notes:
The octanol-water partition coefficients (Log P) of tripeptide diastereoisomers have been calculated by our recently developed method for predicting Log P from the results of AM1 semiempirical calculations. This method can distinguish different diastereoisomers. The differences arise from variations in molecular conformation, which lead to significant differences in the dipole moment and ovality of the different diastereoisomers.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/jcc.540121004