Subsequent refinement was carried out at 1.4 Å using the PHENIX refine module of the PHENIX software package and manual model building in Coot [35].
For selecting an adequate model structure, being the most crucial part of the modeling process, we conduct the following forward strategy: We start with the most parsimonious reasonable model and refine it iteratively and directed by biochemical knowledge until subsequent refinement does not significantly improve the model fitting process.
Molecular dynamics based flexible fitting protocols allow subsequent refinement of the atomistic models.
Here we report the ab initio structure determination and subsequent refinement, at 0.8 Å resolution, of the CBM36 domain of the Paenibacillus polymyxa xylanase 43A.
Future progress will hinge on experimental evaluations of these linked frameworks and their subsequent refinement over longer time frames in an adaptive management context.
Preliminary grids are first generated by an algebraic method, based on a transfinite interpolation method, with subsequent refinement using a PDE mapping (parabolic grid generation) method.
The introduction of cardiac troponin (cTn) assays in 1989 was the next major advance, and subsequent refinement of the assays now has the definition of acute myocardial infarction (AMI) centered on it.
UC attorneys have argued that the move from prokaryotes to eukaryotes was obvious, and insisted that Zhang's lab's subsequent refinement of a key component in the CRISPR system a variation of an enzyme known as Cas9 also was obvious.
The seminal 1992 publication of the Research Diagnostic Criteria for Temporomandibular Disorders (RDC/TMD) and the subsequent refinement in the form of Diagnostic Criteria for Temporomandibular Disorders (DC/TMD) in 2014 represented a paradigm shift in the evaluation and diagnosis of patients with TMD, a heterogeneous group of disorders affecting the jaw joint and surrounding tissues [2, 3].
In virtual screening, time spent thinking carefully about the receptor binding site and interactions made by ligands binding in it would pay off in a greater understanding of the structural characteristics of the system – knowledge that could be useful for subsequent refinement into leads of the hits out of the screening database.
This situation is typical of differences in research design [19] and was aggravated by the subsequent refinement of bracket sub-types, including introduction of updated versions, meaning that by the time potentially influential research was published, obsolete products were being reported on.
