نتایج جستجو برای: hydrogen bonding

تعداد نتایج: 170294  

This study presents our view of unconventional and conventional intramolecular hydrogen bonds (HBs) for some beta-diketones theoretically and experimentally. According to our results, the groups such as Phenyl and t-But in beta positions increase and CF3 group decrease IHB strength, respectively. For better understanding of the substitution effects, the compounds with similar and different subs...

Journal: :Biochemistry 2010
Philip Hanoian Paul A Sigala Daniel Herschlag Sharon Hammes-Schiffer

Computational studies are performed to analyze the physical properties of hydrogen bonds donated by Tyr16 and Asp103 to a series of substituted phenolate inhibitors bound in the active site of ketosteroid isomerase (KSI). As the solution pK(a) of the phenolate increases, these hydrogen bond distances decrease, the associated nuclear magnetic resonance (NMR) chemical shifts increase, and the fra...

Journal: :Acta Crystallographica Section A Foundations of Crystallography 2005

Journal: :Acta Crystallographica Section E Structure Reports Online 2005

Journal: :The Journal of Chemical Physics 2005

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