Efficient and accurate large library ligand docking with KarmaDock
Xujun Zhang, Odin Zhang, Chao Shen, Wanglin Qu, Shicheng Chen, Hanqun Cao, Yu Kang, Zhe Wang, Ercheng Wang, Jintu Zhang, Yafeng Deng, Furui Liu, Tianyue Wang, Hongyan Du, Langcheng Wang, Peichen Pan, Guangyong Chen, Chang‐Yu Hsieh, Tingjun Hou
Topics & Concepts
Virtual screeningDocking (animal)Computer scienceArtificial intelligenceProtein–ligand dockingDOCKDrug discoveryDeep learningMachine learningChemistryBioinformaticsBiologyBiochemistryMedicineNursingComputational Drug Discovery MethodsMicrobial Natural Products and Biosynthesisvaccines and immunoinformatics approaches