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Molecular Diversity|October 10, 2025
Computational discovery and validation of 4'-O-methylochnaflavone as a novel HSP90AB1 inhibitor for hepatocellular carcinoma treatmentYuan Yang, Xufeng Ning, Ming Chen, et al.
Molecular Diversity|September 26, 2025
Targeting viral RNA pseudoknots: a multi-level computational approach to identify RNA-binding novel small moleculesNeha Jeena, Sahal Bin Saleem Cp, Shubham Srivastava, et al.
Molecular Diversity|September 25, 2025
Integrative genomics and structural bioinformatics uncovers AMR-associated drug targets and pqsH inhibitors in multidrug-resistant Pseudomonas aeruginosa JJPA01Bhuvaneswari Narthanareeswaran, Nagarajan Hemavathy, Sampathkumar Ranganathan, et al.
Molecular Diversity|September 29, 2025
Identification of novel small molecules as potential SGLT2 inhibitors through combined virtual screening and experimental validationFei Qin, Huicong Zeng, Li Zhou, et al.
Molecular Diversity|June 30, 2025
JAK3 identified as a key toxicological target of aristolochic acid in clear cell renal cell carcinomaJianhang You, Jianmin You, Yuyu Chen, et al.
Molecular Diversity|June 27, 2025
Rational design of fused-ring-modified rhodamine chemosensors for salicylic acid detection: its mechanistic insights and biological applicationMei-Hong Ge, A-Ling Tang, Feng Gao, et al.
Molecular Diversity|June 26, 2025
In silico prediction of drug-induced cardiotoxicity with ensemble machine learning and structural pattern recognitionSiwen Li, Haojie Xu, Fengxi Liu, et al.
Molecular Diversity|July 10, 2025
A dynamic scapping workflow for RTK domains: computational modeling of natural products as dual modulators of EGFR and VEGFR signaling in breast cancerVincent A Obakachi, Krishna K Govender, Penny P Govender
Molecular Diversity|July 20, 2025
Harnessing the synergistic potential of EGCG and camptothecin against skin melanoma: a computational and experimental approachAnsari Vikhar Danish Ahmad, Qazi Yasar, Syed Ayaz Ali, et al.
Molecular Diversity|July 1, 2025
Synthesis, molecular docking, molecular dynamic simulation and biological evaluation of novel 3,4-dihydropyridine derivatives as potent antituberculosis agentsRiya Khandelwal, Mahesh Vasava, Vijay Kevlani, et al.
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