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Computational and Molecular Docking Study of 1-Guanidinosuccinimide and Benzene-Ethanamine, 2,5-Difluoro- [[Equation]] , 3,4-Trihydroxy-N-Methyl with Mouse Double Minute 2 for Potential Anticancer Agent
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2 of the 36 references listed on this page are in the Retraction Watch database as retracted (export 2026-11-04): 10.1016/j.chphi.2023.100296 (notice 2025-11-19), 10.1016/j.chphi.2023.100346 (notice 2025-08-05).
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inferredcites →https://doi.org/10.1002/jcc.21334openalex-extractedAutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
inferredcites →https://doi.org/10.1007/s12010-022-04054-9openalex-extractedAntibacterial Potential of 2-(-(2-Hydroxyphenyl)-methylidene)-amino)nicotinic Acid: Experimental, DFT Studies, and Molecular Docking Approach
inferredcites →https://doi.org/10.1007/s12010-023-04411-2openalex-extractedNew Insight into the Pharmacological Importance of Atropine as the Potential Inhibitor of AKR1B1 via Detailed Computational Investigations: DFTs, ADMET, Molecular Docking, and Molecular Dynamics Studies
inferredcites →https://doi.org/10.1007/s13738-022-02550-7openalex-extractedSynthesis, characterization, DFT studies, and molecular modeling of 2-(-(2-hydroxy-5-methoxyphenyl)-methylidene)-amino) nicotinic acid against some selected bacterial receptors
inferredcites →https://doi.org/10.1016/j.chphi.2023.100296openalex-extractedRETRACTED: Structural analysis, reactivity descriptors (HOMO-LUMO, ELF, NBO), effect of polar (DMSO, EtOH, H2O) solvation, and libido-enhancing potential of resveratrol by molecular docking
inferredcites →https://doi.org/10.1016/j.chphi.2023.100346openalex-extractedRETRACTED: Unraveling the impact of polar solvation on the molecular geometry, spectroscopy (FT-IR, UV, NMR), reactivity (ELF, NBO, HOMO-LUMO) and antiviral inhibitory potential of Cissampeline by molecular docking approach
inferredcites →https://doi.org/10.1016/j.saa.2010.06.034openalex-extractedMolecular structure, anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations
inferredcites →https://doi.org/10.1016/j.saa.2019.117609openalex-extractedMolecular structure interpretation, spectroscopic (FT-IR, FT-Raman), electronic solvation (UV–Vis, HOMO-LUMO and NLO) properties and biological evaluation of (2E)-3-(biphenyl-4-yl)-1-(4-bromophenyl)prop-2-en-1-one: Experimental and computational modeling approach
inferredcites →https://doi.org/10.1186/s42269-022-00869-yopenalex-extractedComputational modeling, ligand-based drug design, drug-likeness and ADMET properties studies of series of chromen-2-ones analogues as anti-cancer agents
inferredcites →https://doi.org/10.18311/ti/2021/v28i2/26603openalex-extractedChemical Composition and Evaluation of Methanol Leaf Extract of Combretum dolichopetalum on Body Weights and Haematological Indices of Phenylhydrazine Induced-anaemic Rats
inferredcites →https://doi.org/10.2174/092986710792232021openalex-extractedMolecular Modeling Approaches in the Discovery of New Drugs for Anti-Cancer Therapy: The Investigation of p53-MDM2 Interaction and its Inhibition by Small Molecules
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