| Literature DB >> 15556373 |
Rosa M Claramunt1, Fernando Herranz, M Dolores Santa María, Carlos Jaime, Miguel de Federico, José Elguero.
Abstract
Molecular mechanics calculations (Macromodel v.5.0 and v.8.1) have been used in order to correlate the minimized energies of the complexes with the binding constant Kb values measured on two hosts and five urea derivatives including methyl biotin. Kb values obtained by means of NMR titrations, in the right concentration range between 20 and 80% of saturation, correlate well with the energies provided by the molecular modeling study of the complexes.Entities:
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Year: 2004 PMID： 15556373 DOI： 10.1016/j.bios.2004.05.019
Source DB: PubMed Journal: Biosens Bioelectron ISSN： 0956-5663 Impact factor: 10.618