Bond dissociation energies of X−H bonds in proteins [data]
<|begin_of_text|><|start_header_id|>system<|end_header_id|> You are a research archivist expert in dataset metadata. Answer the question truthfully.  <|eot_id|><|start_header_id|>user<|end_header_id|> Here is the Description of a dataset. Description:'Knowledge of reliable X−H bond dissociation energies (X = C, N, O, S) for amino acids in proteinsis key for studying the radical chemistry of proteins. X−H bond dissociation energies of modeldipeptides were computed using the isodesmic reaction method at the BMK/6-31+G(2df,p) andG4(MP2)-6X levels of theory. The density functional theory values agree well with the composite-level calculations. By this high level of theory, combined with a careful choice of reference compoundsand peptide model systems, our work provides a highly valuable data set of bond dissociation energieswith unprecedented accuracy and comprehensiveness. It will likely prove useful to predict proteinbiochemistry involving radicals, e.g., by machine learning' . Please return only a json list of at most 3 Keywords corresponding to the Description:.<|eot_id|><|start_header_id|>assistant<|end_header_id|> {"Answer" : ["Bond dissociation energies"]} <|eot_id|>
 Here is the Description of a dataset. Description:'Knowledge of reliable X−H bond dissociation energies (X = C, N, O, S) for amino acids in proteinsis key for studying the radical chemistry of proteins. X−H bond dissociation energies of modeldipeptides were computed using the isodesmic reaction method at the BMK/6-31+G(2df,p) andG4(MP2)-6X levels of theory. The density functional theory values agree well with the composite-level calculations. By this high level of theory, combined with a careful choice of reference compoundsand peptide model systems, our work provides a highly valuable data set of bond dissociation energieswith unprecedented accuracy and comprehensiveness. It will likely prove useful to predict proteinbiochemistry involving radicals, e.g., by machine learning' . Please return only a json list of at most 3 Keywords corresponding to the Description:.
Knowledge of reliable X−H bond dissociation energies (X = C, N, O, S) for amino acids in proteinsis key for studying the radical chemistry of proteins. X−H bond dissociation energies of modeldipeptides were computed using the isodesmic reaction method at the BMK/6-31+G(2df,p) andG4(MP2)-6X levels of theory. The density functional theory values agree well with the composite-level calculations. By this high level of theory, combined with a careful choice of reference compoundsand peptide model systems, our work provides a highly valuable data set of bond dissociation energieswith unprecedented accuracy and comprehensiveness. It will likely prove useful to predict proteinbiochemistry involving radicals, e.g., by machine learning
Bond dissociation energies