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Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution.
Caterina Benzi
Roberto Improta
Giovanni Scalmani
Vincenzo Barone
Published in:
J. Comput. Chem. (2002)
Keyphrases
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theoretical framework
evolutionary algorithm
experimental study
integer programming
data sets
neural network
feature selection
linear programming
statistically significant
closed form
simulation study