Pre‐Training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Science"
DOI: 10.1002/advs.202203796
Abstract: The latest biological findings observe that the motionless “lock‐and‐key” theory is not generally applicable and that changes in atomic sites and binding pose can provide important information for understanding drug binding. However, the computational expenditure… read more here.
Keywords: equivariant graph; graph matching; matching networks; drug binding ... See more keywords