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Molecular Diversity|July 19, 2024
L-proline H2SO4 catalyzed synthesis of novel coumarin-based spiroindolino-3,4-dihydropyrimidin-2(1H)-ones: in vitro cytotoxic assay and molecular docking studyMezhubeinuo, Rahul Mohanta, Hemanta Bordoloi, et al.
Molecular Diversity|June 10, 2024
Analyzing energetics and dynamics of hepatitis C virus polymerase interactions with marine bacterial compounds: a computational studyAhmed Alobaida, Amr S Abouzied, Kareem M Younes, et al.
Molecular Diversity|June 17, 2024
In silico screening of Fyn kinase inhibitors using classification-based QSAR model, molecular docking, molecular dynamics and ADME studyNguyen Thu Hang, Thai Doan Hoang Anh, Le Nguyen Thanh, et al.
Molecular Diversity|June 15, 2024
DNA-based nanosized functional ruthenium(II) complex as potential phosphorescent probe to track tumor cellsJiacheng Wang, Shiqi Gao, Guohu Li, et al.
Molecular Diversity|October 25, 2023
Bactericidal activity of esculetin is associated with impaired cell wall synthesis by targeting glutamate racemase of Neisseria gonorrhoeaeAlka Pawar, Chandrika Konwar, Prakash Jha, et al.
Molecular Diversity|October 30, 2023
Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical spaceLijo John, Selvaraman Nagamani, Hridoy Jyoti Mahanta, et al.
Molecular Diversity|April 13, 2024
Unraveling the anti-breast cancer activity of Cimicifugae rhizoma using biological network pathways and molecular dynamics simulationPrashasti Sinha, Anil Kumar Yadav
Molecular Diversity|March 20, 2024
Network pharmacology, molecular docking, and molecular dynamics simulation analysis reveal the molecular mechanism of halociline against gastric cancerXiangru Zha, Rong Ji, Yang Li, et al.
Molecular Diversity|September 15, 2023
Identification of natural product as selective PI3Kα inhibitor against NSCLC: multi-ligand pharmacophore modeling, molecular docking, ADME, DFT, and MD simulationsDebojyoti Halder, Subham Das, R S Jeyaprakash
Molecular Diversity|September 11, 2023
A versatile approach for one-pot synthesis of hybridized quinolines linked to fused N-containing heterocycles in waterAtieh Rezvanian, Behnoosh Khodadadi, Sepideh Tafreshi, et al.
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