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While contact mechanics suggests that the refinement of structure size results in greater adhesive strength, some important questions remain unsolved: What is the significance of nanometer length scale for adhesion?
Iterative manual rebuilding and convenient conjugate refinement of structure decreased R- and free R-factors to 19.7% and to 23.9%, respectively, where 130 water molecules were included for the refinement using 14,759 independent reflections from 10 to 2.3 Å resolution.
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Obtained results are determined by the tradeoff between simplification and refinement of structures.
The synthetic strategies used in the present work have potential to prepare a large number of compounds for further refinement of structures to obtain molecules suitable for development as antifungal drugs.
The synthetic strategies used in the present work have potential to prepare a large number of compounds for further refinement of structures and the present results will be very useful in the development of a new class of antimycobacterial agents.
In electron diffraction, it has been of great interest the quantification of intensities for the refinement of structures through electron crystallography methods [1, 2].
Structure refinement of modeled structures was carried out using the Discovery Studio software suite version 3.0 (Accelrys Inc , USA.
The refinement statistics of structure are given in Table 1.
The refined Put2p structure was used as the starting point for refinement of the structure of the Put2p NAD+ complex.
The structure was solved by direct methods and least-squares refinement of the structure was performed by the SHELXL-2007 program [31].
Currently, rebuilding and refinement of the structure is in progress and upon completion will yield the complete structure of the full-length SbsC protein.
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