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Molecular Diversity|May 12, 2026
Design, synthesis, biological activity and in silico evaluation of phenylthiazole derivatives as multifunctional skin-whitening agentsYang Xu, Xuhui Liang, Chang-Gu Hyun
Molecular Diversity|May 12, 2026
Integrating network toxicology with multi-omics approaches to elucidate molecular targets and pathway mechanisms in BPA-induced hepatocellular carcinomaFuling Zeng, Fuyan Lai, Jiaxin Zeng
Molecular Diversity|May 3, 2026
Deep learning architectures achieve state-of-the-art (SOTA) accuracy in protein secondary structure predictionZahra Nikfarjam, Majid Jafari, Farshid Zargari
Molecular Diversity|May 3, 2026
Improving aptamer binding affinity for HN protein of newcastle disease virus: molecular dynamics simulations and MM/GBSA calculations studiesShuang Jiang, Xu Wen, Xiaoling Zheng, et al.
Molecular Diversity|May 3, 2026
The architecture of computational antiviralism: a multi-scale framework from molecular targeting to viral ecosystem engineeringAhmed I Foudah, Mohammed H Alqarni, Akil Ahmad, et al.
Molecular Diversity|July 23, 2026
From reagents to feedstocks: reprogramming heteroatom-containing molecules in modern organic synthesisJixiang Ni, Mohd Aamir Bin Riyaz, Zhenyu An, et al.
Molecular Diversity|July 17, 2026
Synthesis, 131I-radioiodination, and biodistribution of a novel nicotinonitrile derivative with in vitro antimicrobial and DNA gyrase inhibitory activitiesBasant G Salib, Basma M Essa, Hesham A Shamsel-Din, et al.
Molecular Diversity|August 3, 2026
CBInformax: bioactivity-aware self-supervised molecular representation learning for molecular property and drug-drug interaction predictionYanpeng Zhao, Guowei Zhou, Jingjing Wang, et al.
Molecular Diversity|July 16, 2026
Design, synthesis, and biological characterization of a hydrophobic tagging EGFR degrader for the treatment of non-small-cell lung cancerMo Li, Chengye Wang, Xingting Wang, et al.
Molecular Diversity|July 23, 2026
Integrated machine learning and structural bioinformatics guided identification of novel molecular scaffolds as renin inhibitorsShubham Krushna Talware, Girdhar Bhati, Gaurava Srivastava, et al.
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