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Molecular Diversity|July 11, 2026
Integrated deep learning and multi-scale modeling for the discovery of pan-genotypic HCV NS5B polymerase inhibitorsDi Han, Fengxiang Liu, Xiangbing Peng, et al.
Molecular Diversity|July 16, 2026
An acid-responsive rhodamine-based fluorescent probe for N-terminal protein labeling and aqueous Tsuji-Trost allylic alkylationYonghua Tan, Kaiyuan Hui, Raphaël Frédérick, et al.
Molecular Diversity|July 30, 2026
Structural insights into the structure-activity relationships of flavonoids targeting WSSV and LvGSTMuDamião Sampaio de Sousa, João Miguel Lopes de Melo Lima, Jacilene Silva, et al.
Molecular Diversity|August 1, 2026
Scoring pesticide-likeness of organic compounds via explainable one-class machine learningSuyu Mei
Molecular Diversity|July 23, 2026
Multi-omics and genetic prioritization identify candidate molecular links between micro- and nanoplastics-associated signatures and chronic kidney diseaseDianjie Zeng, Ze Cheng, Jiachen Liu, et al.
Molecular Diversity|July 30, 2026
Synthesis and biological evaluation of Phorbazole D analogues identify IO-5a as a promoter of hUC-MSC chondrogenic differentiationAi-Zhu Wang, Xiao-Mei Liu, Li-Ming Zhang, et al.
Molecular Diversity|July 23, 2026
From structural features to mouse acute intraperitoneal toxicity prediction: a triple computational toxicology approach for safety assessment of flavonoidsYichen Yang, Na Zhang, Ting Ren, et al.
Molecular Diversity|July 23, 2026
Design, synthesis and anti-glioblastoma multiforme activity of N-methoxy-2-(pyrimidin-4-ylamino)benzamide derivatives as focal adhesion kinase inhibitorsYang Chen, Ting Wu, Haolin Yang, et al.
Molecular Diversity|July 23, 2026
A magnetically recoverable MOF-derived nanocatalyst for the efficient synthesis of organic heterocycles with pharmaceutical and agricultural propertiesYanhe Chen, Yuehua Bai, Mostafa Habibi, et al.
Molecular Diversity|August 7, 2026
ARG128-associated recognition of nobiletin by BACE1 revealed by triplicate molecular dynamics, MM-GBSA, and residue-level decompositionZihan Wang, Jing Chen
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