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Host-Guest Complexes between Molnupiravir Drug and Cucurbit[n = 5–9]Urils: A DFT Investigation
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inferredcites →https://doi.org/10.1002/(sici)1096-987x(199803)19:4<404::aid-jcc3>3.0.co;2-wopenalex-extracted
Geometry optimization of molecular structures in solution by the polarizable continuum model
inferredcites →https://doi.org/10.1002/adma.201301202openalex-extracted
Host–Guest Supramolecular Nanosystems for Cancer Diagnostics and Therapeutics
inferredcites →https://doi.org/10.1002/anie.200802947openalex-extracted
Binding Mechanisms in Supramolecular Complexes
inferredcites →https://doi.org/10.1002/ijch.201100040openalex-extracted
Encapsulation of Drug Molecules by Cucurbiturils: Effects on their Chemical Properties in Aqueous Solution
inferredcites →https://doi.org/10.1007/s00044-021-02841-3openalex-extracted
Review on molnupiravir as a promising oral drug for the treatment of COVID-19
inferredcites →https://doi.org/10.1007/s00706-020-02724-0openalex-extracted
Inclusion of capecitabine into cucurbiturils: DFT study for supramolecular encapsulation of anticancer drug
inferredcites →https://doi.org/10.1007/s00894-013-1936-3openalex-extracted
Simulations on the possibility of formation of complexes between fluorouracil drug and cucurbit[n]urils: ab initio van der Waals DFT study
inferredcites →https://doi.org/10.1007/s10847-017-0751-3openalex-extracted
Water structuring inside the cavities of cucurbit[n]urils (n = 5–8): a quantum-chemical forecast
inferredcites →https://doi.org/10.1007/s11224-022-01888-1openalex-extracted
Theoretical investigation of the complexation, structural, and electronic properties of complexes between oseltamivir drug and cucurbit[n = 6–9]urils
inferredcites →https://doi.org/10.1007/s11224-023-02133-zopenalex-extracted
Unveiling the gemcitabine drug complexation with cucurbit[n]urils (n = 6–8): a computational analysis
inferredcites →https://doi.org/10.1016/j.comptc.2018.12.015openalex-extracted
Structure, stability, and nature of bonding between high energy water clusters confined inside cucurbituril: A computational study
inferredcites →https://doi.org/10.1016/j.molliq.2020.113233openalex-extracted
Investigation of intermolecular interactions in inclusion complexes of pyroquilon with cucurbit[n]urils (n = 7,8) using DFT-D3 correction dispersion
inferredcites →https://doi.org/10.1016/j.trsl.2019.12.002openalex-extracted
Quantitative efficacy paradigms of the influenza clinical drug candidate EIDD-2801 in the ferret model
inferredcites →https://doi.org/10.1021/acs.chemrev.5b00341openalex-extracted
Cucurbituril-Based Molecular Recognition
inferredcites →https://doi.org/10.1021/ar500055sopenalex-extracted
Cyclodextrin-Based Host–Guest Supramolecular Nanoparticles for Delivery: From Design to Applications
inferredcites →https://doi.org/10.1021/ja052912copenalex-extracted
Complexation of Ferrocene Derivatives by the Cucurbit[7]uril Host: A Comparative Study of the Cucurbituril and Cyclodextrin Host Families
inferredcites →https://doi.org/10.1021/ja993376popenalex-extracted
New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[ n ]uril ( n = 5, 7, and 8)
inferredcites →https://doi.org/10.1023/a:1011184725796openalex-extracted
Cucurbit[5]uril, Decamethylcucurbit[5]uril and Cucurbit[6]uril. Synthesis, Solubility and Amine Complex Formation
inferredcites →https://doi.org/10.1039/9781847551863openalex-extracted
Self-Assembly in Supramolecular Systems
inferredcites →https://doi.org/10.1039/c7cs00078bopenalex-extracted
Practical applications of supramolecular chemistry
inferredcites →https://doi.org/10.1063/1.464913openalex-extracted
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1063/1.477265openalex-extracted
Analytical second derivatives of the free energy in solution by polarizable continuum models
inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-extracted
Density-functional exchange-energy approximation with correct asymptotic behavior
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-extracted
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1128/jvi.01348-19openalex-extracted
Small-Molecule Antiviral β- d - N 4 -Hydroxycytidine Inhibits a Proofreading-Intact Coronavirus with a High Genetic Barrier to Resistance
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