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Molecular Diversity|August 20, 2024
Novel molecular inhibitor design for Plasmodium falciparum Lactate dehydrogenase enzyme using machine learning generated library of diverse compoundsJitendra Kuldeep, Neeraj Chaturvedi, Dinesh Gupta
Molecular Diversity|September 3, 2024
Machine learning, network pharmacology, and molecular dynamics reveal potent cyclopeptide inhibitors against dengue virus proteinsMohammed A Imam, Thamir A Alandijany, Hashim R Felemban, et al.
Molecular Diversity|August 4, 2024
Application progress of deep generative models in de novo drug designYingxu Liu, Chengcheng Xu, Xinyi Yang, et al.
Molecular Diversity|July 17, 2024
Repurposing of FDA-approved drugs against oligomerization domain of dengue virus NS1 protein: a computational approachDwaipayan Chaudhuri, Medha Ghosh, Satyabrata Majumder, et al.
Molecular Diversity|July 20, 2024
Benzimidazole scaffold as a potent anticancer agent with different mechanisms of action (2016-2023)Fatma Fouad Hagar, Samar H Abbas, Eman Atef, et al.
Molecular Diversity|July 2, 2024
Identification of potential PIM-2 inhibitors via ligand-based generative models, molecular docking and molecular dynamics simulationsTianli Qin, Yijian Wang, Miaomiao Kong, et al.
Molecular Diversity|July 2, 2024
Exploring putative drug properties associated with TNF-alpha inhibition and identification of potential targets in cardiovascular disease using machine learning-assisted QSAR modeling and virtual reverse pharmacology approachManisha Shah, Sivakumar Arumugam
Molecular Diversity|July 6, 2024
Construction of IRAK4 inhibitor activity prediction model based on machine learningYihuan Zhao, Qianwen Wan, Xiaoyu He
Molecular Diversity|July 8, 2024
Investigation of cholinesterase and α-glucosidase enzyme activities, and molecular docking and dft studies for 1,2-disubstituted cyclopentane derivatives with phenyl and benzyl unitsTekin Artunç, Yasin Çetinkaya, Parham Taslimi, et al.
Molecular Diversity|July 10, 2024
Elucidating CTLA-4's role in tumor immunity: a comprehensive overview of targeted antibody therapies and clinical developmentsJuan Fu, Lin Mao, Yu Jiao, et al.
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