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Bioorganic Chemistry|March 28, 2024
Discovery of macrocyclic CDK2/4/6 inhibitors with improved potency and DMPK properties through a highly efficient macrocyclic drug design platformFanye Meng, Jinxin Liu, Zhongying Cao, et al.Bioorganic & Medicinal Chemistry|February 11, 2024
Discovery of novel MAT2A inhibitors by an allosteric site-compatible fragment growing approachFeng Gao, Xiaoyu Ding, Zhongying Cao, et al.Journal of Medicinal Chemistry|February 14, 2025
Design, Synthesis, and Biological Evaluation of Novel Orally Available Covalent CDK12/13 Dual Inhibitors for the Treatment of TumorsHongfu Lu, Deheng Sun, Zhen Wang, et al.Frontiers in Chemistry|April 18, 2024
Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an <i>in vitro</i> studySergei Evteev, Yan Ivanenkov, Ivan Semenov, et al.Journal of Chemical Information and Modeling|May 12, 2023
Exploring the Advantages of Quantum Generative Adversarial Networks in Generative ChemistryPo-Yu Kao, Ya-Chu Yang, Wei-Yin Chiang, et al.Journal of Medicinal Chemistry|December 1, 2025
Design, Synthesis and Biological Evaluation of Novel, Potent, Selective and Orally Available DGKα Inhibitors for the Treatment of TumorsHongfu Lu, Sujing Shi, Huaxing Yu, et al.Journal of Chemical Information and Modeling|February 26, 2024
PandaOmics: An AI-Driven Platform for Therapeutic Target and Biomarker DiscoveryPetrina Kamya, Ivan V Ozerov, Frank W Pun, et al.Journal of Medicinal Chemistry|November 12, 2025
Discovery and Biological Evaluation of Novel, Potent, and Orally Available CBLB InhibitorsFanye Meng, Zhongying Cao, Jinxin Liu, et al.Aging|September 24, 2023
Biomedical generative pre-trained based transformer language model for age-related disease target discoveryDiana Zagirova, Stefan Pushkov, Geoffrey Ho Duen Leung, et al.Journal of Medicinal Chemistry|June 25, 2025
Rational Design and Identification of ISM7594 as a Tissue-Agnostic FGFR2/3 InhibitorYazhou Wang, Jinxin Liu, Yihong Zhang, et al.Pageof 7