Prediction of ligand binding sites using improved blind docking method with a Machine Learning-Based scoring function
Xinhao Che, Shiyang Chai, Zhongzhou Zhang, Lei Zhang
Topics & Concepts
Docking (animal)Protein–ligand dockingComputer scienceArtificial intelligenceMachine learningArtificial neural networkFunction (biology)Drug discoveryIdentification (biology)Protein ligandComputational biologyData miningVirtual screeningChemistryBioinformaticsBiologyBiochemistryBotanyMedicineNursingEvolutionary biologyComputational Drug Discovery MethodsProtein Structure and DynamicsSynthesis and biological activity