Models with the lowest score function values and best stereochemistry and checked by Molprobity (http://molprobity.biochem.duke.edu) (Chen et al., 2010) were then subjected to subsequent refinement by energy minimization using CHARMM implemented in Discovery Studio 2.5 (DS2.5; Accelrys , Inc.
Guidelines are needed for model design to permit the quantification of numerical error, and subsequent grid refinement to minimize error.
The approach: license the Ethernet patents to any person or company for a $1,000 fee, and turn over administration of the standard and subsequent refinements to an industry group.
This approach is a process of implementing a design or tool, seeking discussion and feedback and making subsequent refinements to the design or tool.
The VLAD charts were presented to multidisciplinary clinical teams within each centre to elicit feedback on the displays, leading to subsequent iterative refinements by the research team.
The more abstract (superordinate) visual representation appears to be available earlier with subsequent refinements needed to allow categorization at the basic levels.
A hierarchical simulation approach for Boltzmann's equation should provide a single numerical framework in which a coarse representation can be used to compute gas flows as accurately and efficiently as in computational fluid dynamics, but a subsequent refinement allows to successively improve the result to the complete Boltzmann result.
Despite a small peak in the Fo-Fc electron density map corresponding to this water molecule for compound 19, subsequent refinement led to a high B-factor and poor 2Fo-Fc density, so this water molecule was omitted from the final model.
The rule priority criteria narrowed these to 65 rules, and subsequent structure refinement and unification resulted in the seven BASs (A to G) depicted in Figure 14.
The prototype questionnaire was pretested using cognitive interviews in a purposive sample of myeloma patients with subsequent refinements prior to field testing.
It would evidently still need to undergo subsequent empirical testing, refinement, affirmation and extension.
