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Mechanistic Modeling of Monoglyceride Lipase Covalent Modification Elucidates the Role of Leaving Group Expulsion and Discriminates Inhibitors with High and Low Potency.

Francesca GalvaniLaura ScalviniSilvia RivaraAlessio LodolaMarco Mor
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
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  • feature selection
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  • three dimensional