Predicting the locations of cryptic pockets from single protein structures using the PocketMiner graph neural network
Artur Meller, Michael D. Ward, Jonathan Borowsky, Jeffrey M. Lotthammer, Meghana Kshirsagar, Felipe Oviedo, Juan Lavista Ferres, Gregory R. Bowman
Topics & Concepts
DruggabilityComputational biologyProteomeComplex networkBiologyComputer scienceBioinformaticsGeneticsGeneWorld Wide WebComputational Drug Discovery MethodsProtein Structure and DynamicsAdvanced Proteomics Techniques and Applications