BioinformaticsJournal of Chemical Information and ModelingPeer-reviewed
Predicting Enzyme pH Optima from Structure Using Equivariant Graph Neural Networks
Rajarshi SinhaRoy, Christian Clauss, Ivan Ivanikov, Georg Kuenze
This paper introduces pHoptNN, a graph neural network predicting enzyme pH opt from structure, achieving lower error than sequence-based methods.
DOI 10.1021/acs.jcim.6c01482