D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening
Yulong Shi, Xinben Zhang, Yanqing Yang, Tingting Cai, Cheng Peng, Leyun Wu, Liping Zhou, Jiaxin Han, Minfei Ma, Weiliang Zhu, Zhijian Xu
Topics & Concepts
Virtual screeningDocking (animal)Computer scienceArtificial intelligenceDrug discoveryDeep learningSimilarity (geometry)Machine learningComputational biologyBioinformaticsBiologyMedicineImage (mathematics)NursingComputational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials Science