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Molecular Diversity|September 13, 2025
ACP-EPC: an interpretable deep learning framework for anticancer peptide prediction utilizing pre-trained protein language model and multi-view feature extracting strategyJingwei Lv, Kexin Li, Yike Wang, et al.
Molecular Diversity|September 10, 2025
Design and synthesis of novel indolinone Aurora B kinase inhibitors based on fragment-based drug discovery (FBDD)Baoxing Xie, Miaomiao Shi, Dan Tang, et al.
Molecular Diversity|September 16, 2025
Decoding pH-dependent structural dynamics of CHIKV nsP2 protease: insights from computational antiviral targetingRubha Shri Gurunathan, Abhirami Rajaram, Selvaraj Chandrabose, et al.
Molecular Diversity|September 17, 2025
Discovery of novel Plasmodium falciparum PfDHFR-TS inhibitors from ConMedNP natural compounds: a multi-computational approachVictorien Hermann Haiwang Djefoulna, Maxime Atiya Atiya, Jean Jules Fifen, et al.
Molecular Diversity|September 23, 2025
New 1,2,3-triazole-linked (±)-agrimonolide derivatives as anti-ulcerative colitis agents inhibiting JAK1/STAT3 pathwaysXiao Zhang, Ming-Qian Ju, Heng-Li Yang, et al.
Molecular Diversity|August 19, 2025
Discovery of indole-carbohydrazide hybrids as novel broad-spectrum fungicidal lead compound though membrane-targeting mechanismYing Wu, Li-Hui Shao, Xian-Qun Hu, et al.
Molecular Diversity|September 10, 2025
Quantum chemical optimization and residue-specific stabilization of CDK20 inhibitors in hepatocellular carcinomaAhmed I Foudah, Mohammed H Alqarni, Tariq M Aljarba, et al.
Molecular Diversity|October 12, 2025
Prediction of drug-induced nephrotoxicity based on deep learning algorithm and molecular fingerprintsShuailong Wang, Yan Li
Molecular Diversity|August 5, 2025
Construction of multifunctionalized (oxo)indoles via O-Selective interception of the zwitterionic intermediate with N=OBao-Fan Wang, Ziming Qiu, Fei Lian, et al.
Molecular Diversity|July 31, 2025
Machine learning-based design, screening, and activity validation of topoisomerase I inhibitorsYa-Kun Zhang, Jian-Bo Tong, Jia-Le Li, et al.
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