Theoretical modeling of the heme group with a hybrid QM/MM method.
Jean-Didier MaréchalGuada BareaFeliu MaserasAgustí LledósLiliane MouawadDavid PérahiaPublished in: J. Comput. Chem. (2000)
Keyphrases
- similarity measure
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- cost function
- synthetic data
- objective function
- preprocessing
- high precision
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- experimental evaluation
- clustering method
- computationally efficient
- computational cost
- fully automatic
- average error
- mathematical model
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- machine learning
- detection method
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- theoretical analysis
- dynamic programming
- high resolution
- learning algorithm