GCmapCrys: Integrating graph attention network with predicted contact map for multi-stage protein crystallization propensity prediction
Peng-Hao Wang, Yiheng Zhu, Xibei Yang, Dong‐Jun Yu
Topics & Concepts
CrystallizationGraphComputer scienceProtein crystallizationPipeline (software)Materials scienceBiological systemData miningTheoretical computer sciencePhysicsBiologyThermodynamicsProgramming languageProtein Structure and DynamicsEnzyme Structure and FunctionComputational Drug Discovery Methods