Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design

Aaron D. Danilack,Callum J. Dickson, Cihan Soylu, Mike Fortunato, Stephane Rodde, Hagen Munkler,Viktor Hornak,Jose S. Duca

Journal of Computer-Aided Molecular Design(2024)

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