Protein p <i>K</i> <sub>a</sub> Prediction with Machine Learning
Zhitao Cai, Fangfang Luo, Yongxian Wang, Enling Li, Yandong Huang
Abstract
predictors in the future. Finally, the grid charge representation is general and applicable to other topics, such as the protein-ligand binding affinity prediction.
Topics & Concepts
Computer scienceGridRepresentation (politics)Protein functionElectrostaticsMolecular dynamicsArtificial intelligenceMachine learningChemistryComputational chemistryMathematicsBiochemistryPhysical chemistryPoliticsGenePolitical scienceLawGeometryComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics