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Molecular Diversity|November 20, 2025
DeepMCL-DTI: predicting drug-target interactions using multi-channel deep learning with attention mechanismHan Zhou, Yijie Guo, Xiumin Shi, et al.
Molecular Diversity|December 7, 2025
Design, synthesis, and mechanistic evaluation of alepterolic acid derivatives incorporating indole and piperazine moieties as anticancer agents targeting breast cancerLian Ma, Yanchun Sun, Binbin Zhang, et al.
Molecular Diversity|November 20, 2025
A transfer learning framework for PTP1B inhibitor activity prediction: differential modeling of natural and non-natural products with web platform implementationZixiao Wang, Lili Sun, Anqi Ren, et al.
Molecular Diversity|December 23, 2024
A 4D tensor-enhanced multi-dimensional convolutional neural network for accurate prediction of protein-ligand binding affinityDingfang Huang, Yu Wang, Yiming Sun, et al.
Molecular Diversity|December 18, 2024
Immunoinformatic based designing of highly immunogenic multi-epitope subunit vaccines to stimulate an adaptive immune response against Junin virusMohammed Alissa, Abdullah Alghamdi, Suad A Alghamdi, et al.
Molecular Diversity|December 21, 2024
Exploring the role of pomalidomide in androgen-dependent prostate cancer: a computational analysisShivani Pathak, Vipendra Kumar Singh, Prashant Kumar Gupta, et al.
Molecular Diversity|December 22, 2024
HDAC3_VS_assistant: cheminformatics-driven discovery of histone deacetylase 3 inhibitorsOleg V Tinkov, Veniamin Y Grigorev
Molecular Diversity|December 18, 2024
Potential VEGFR2 inhibitors for managing metastatic cervical cancer: insights from molecular dynamics and free energy landscape studiesAhmed Alobaida, Amr S Abouzied, A Taslim Ahmed, et al.
Molecular Diversity|January 20, 2025
Design, synthesis and antitumour activity of pyrimidine derivatives as novel selective EGFR kinase inhibitorsCheng Zhang, Yiwen Huo, Jianfang Fu, et al.
Molecular Diversity|February 3, 2025
Thiazolidinedione derivatives: emerging role in cancer therapyGanesh Latambale, Kapil Juvale
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