Anharmonic vibrational self-consistent field calculations as an approach to improving force fields for monosaccharides

Article Abstract:

A study was conducted to analyze an Amber-type of force field based on experimental vibrational frequencies that are suitable for monosaccharides. The atomic partial charges and some torsional parameters were determined from a fit of computed vibrational energy levels to known experimental spectra for alpha-D-glucose. Results indicated the applicability of the atom force field for spectroscopic studies of monosaccharides. However, it is not yet well suited for dynamical studies.

Analysis, Carbohydrates, Vibrational spectra

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Single molecules as probes of lipid membrane microenvironments

Article Abstract:

A study is presented of the single-molecule dynamics of the membrane probe diIC18 dispersed in a controlled environment of lipid monolayers and bilayers of DPPC.

Lipid membranes, Bilayer lipid membranes

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