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Molecular Diversity|December 21, 2023
Structure-based virtual screening against multiple Plasmodium falciparum kinases reveals antimalarial compoundsPriya Godara, K Sony Reddy, Welka Sahu, et al.
Molecular Diversity|January 3, 2024
Organohalogen chalcones: design, synthesis, ADMET prediction, molecular dynamics study and inhibition effect on acetylcholinesterase and carbonic anhydraseBusra Ozturk Aydin, Derya Aktas Anil, Yeliz Demir, et al.
Molecular Diversity|December 11, 2023
Exploring Monkeypox: prospects for therapeutics through computational-aided drug discoveryDaniela Bermeo Grajales, Supratik Kar
Molecular Diversity|June 22, 2026
Computational identification of marine-derived therapeutic leads targeting the acyl-homoserine-lactone synthase (AHL) in drug-resistant Acinetobacter baumannii (Strain AYE)Atikulla Shaikh, Santhiya Panchalingam, Hamad A Al-Lohedan, et al.
Molecular Diversity|December 9, 2015
Exploring different strategies for imbalanced ADME data problem: case study on Caco-2 permeability modelingHai Pham-The, Gerardo Casañola-Martin, Teresa Garrigues, et al.
Molecular Diversity|June 22, 2026
Bismuth (III) chloride in organic synthesis: an exclusive focus on its catalytic versatility, green credentials, and mechanistic insightsMohd Aamir Bin Riyaz, Jixiang Ni, Yufen Zhao
Molecular Diversity|June 30, 2026
Design, synthesis, and biological evaluation of novel isobenzofuran-1(3H)-one derivatives with antioxidant properties and improved oral bioavailabilityDebasis Das, Kun Zhang, Lingzhi Xie, et al.
Molecular Diversity|June 30, 2026
Design, synthesis and biological evaluations of novel VEGFR-2 inhibitors based on Fruquintinib and CabozantinibXueyan Ding, Heliang Wei, Mengling Ye, et al.
Molecular Diversity|June 30, 2026
Integrative network pharmacology and molecular modelling identify taxifolin as a potential modulator of melatonin receptor MT1 in mood disordersShubham Singh Bartwal, Vishal Chhabra, Amita Rai, et al.
Molecular Diversity|June 26, 2026
Machine learning-driven prioritization and experimental validation of traditional Chinese medicine-derived STING-inhibitory candidatesTian Zhao, Dan Chen, Zongjun Chen, et al.
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