Theoretical and experimental spectroscopic studies of monomeric and dimeric structures of 4-hydroxybenzamide
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DOI: 10.1016/j.molstruc.2020.127742
Abstract: Abstract 4-Hydroxybenzamide (4HBM) molecule was optimized geometrically and vibrational spectral analyses of monomer and dimer structures have been reported by DFT calculations using B3LYP/6–311++G(d,p) level of theory. The molecular structural parameters of the title compound… read more here.
Keywords: spectroscopic studies; monomeric dimeric; theoretical experimental; studies monomeric ... See more keywords
Structural, energetics and vibrational analyses of monomeric and dimeric forms of 2-deoxy-2-(3-methyl-3-nitrosourea)-1-D-glucopyranose
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DOI: 10.1016/j.molstruc.2020.129588
Abstract: Abstract The quantum chemical calculations and IR & Raman spectra have been used to characterize the structural, energetics and vibrational properties of 2-deoxy-2-(3-methyl-3-nitrosourea)-1-D-glucopyranose (streptozotocin, STZ), which is widely used in diabetes research. The two conformers… read more here.
Keywords: nitrosourea glucopyranose; structural energetics; monomeric dimeric; energetics vibrational ... See more keywords
Modular discovery of monomeric and dimeric transcription factor binding motifs for large data sets
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DOI: 10.1093/nar/gky027
Abstract: Abstract In some dimeric cases of transcription factor (TF) binding, the specificity of dimeric motifs has been observed to differ notably from what would be expected were the two factors to bind to DNA independently… read more here.
Keywords: transcription factor; factor binding; binding motifs; monomeric dimeric ... See more keywords
Binding of Inhibitors to the Monomeric and Dimeric SARS-CoV-2 Mpro
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DOI: 10.26434/chemrxiv.13118378.v1
Abstract: SARS-CoV-2 rapidly infects millions of people worldwide since December 2019. There is still no effective treatment for the virus, resulting in the death of more than one million of patients. Inhibiting the activity of SARS-CoV-2… read more here.
Keywords: cov mpro; dimeric sars; monomeric dimeric; binding inhibitors ... See more keywords