Differences between Homology Models and Crystal Structures. (a) GD-AA (red)
Local Error Estimates Dramatically Improve the Utility of Homology Models for Solving Crystal Structures by Molecular Replacement
... deviations between target and prediction, while in the current setup these may partially compensate for the missing B ...B-factor differences between model and target in the LLG score is only ...
11
Comparing cyclotomic structures on different models for topological Hochschild homology
... Remark 6.5. The remaining steps that match the maps R r,s with those in classical models of TC are straightforward translations between different models of spectra. For instance, in [12] Hesselholt ...
28
Symmetry Relations between Crystal Structures
... related crystal structures differ because of different settings of their unit cells, the similarities of the structures become less clear and may even be ...the differences between ...
45
Crystal structures of two bis(iodomethyl)benzene derivatives: similarities and differences in the crystal packing
... sup-2 Acta Cryst. (2015). E71, 1505-1509 Special details Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s ...
10
Binding site of ABC transporter homology models confirmed by ABCB1 crystal structure
... substrate differences between these trans- ...over differences in substrate selectivity between the ani- onic transporters ABCC4 and ABCC5, and support the reports of ABCC4 with preference for ...
12
Multiple conformational states in retrospective virtual screening – homology models vs. crystal structures: beta-2 adrenergic receptor case study
... receptor models leads to more effective ...discrimination between active and inactive ...three models/crystals leave suffi- cient space to improve VS ...
9
DIRECTED-DISCOVERY OF CRYSTAL STRUCTURES USING BALL AND STICK MODELS
... stick models may be used in a number of different instructional ...the crystal in different orientations, identifying the location of close packed layers of oxygen, pointing out similarities among sites ...
8
Accurate modeling of protein structures by homology
... distance between the target and the template, the relative importance of the predictors is ...the models are more accurate, and the number of target sequences where a model can be built is ...
219
Prediction of molecular crystal structures
... catemer structures, and a variety o f other motifs, have very similar low lattice ...difference between the catemer and dimer motifs for the smaller ...small differences can easily be compensated for ...
251
A pluralistic account of homology: Adapting the models to the data
... practical homology definitions and the relationship between these theoretical and operational issues is a neglected area of evolutionary ...understanding homology in macromolecular sequences, and by ...
16
The dualism between adatom- and vacancy-based single crystal growth models
... distribution, which describes the subtraction of two Poisson distributions. We verify our theoretical predictions for the simultaneous growth of adatoms and vacancies on the example of the nanoisland/mound formation ...
7
Cyclic polymer liquid crystal structures
... Two models have been studied by the Monte Carlo technique in the NVT ...coupling between the side-chains and the backbones was ...coupling between the mesogenic moieties and the ...
184
The Molecular and Crystal Structures of Galvinol Derivatives
... Table 1. A later determination of a crystal containing both the neutral species and the radical confirmed these results [23]. Only van der Waals-type contacts were found in the crystal packing. A first ...
16
Models of corerperiphery structures
... relationship between any two actors is entirely a function of the extent to which each is associated with the ...correlation between the data matrix A and the pattern matrix D , we are willing to minimize ...
21
Similarities and Differences between GA and AA
... those failures appears to have played a role in the present form of the twelve steps used by Gamblers Anonymous. By the first official meeting of the present Gamblers Anonymous on 13 th September, 1957, AA’s 12 steps had ...
10
Crystalline Structures Crystal Lattice Structures
... crystalline structures made from a mixture of different elemental ...a crystal is based on the atomic structure of these elemental building ...gem's crystal structure will determine a its symmetry, ...
5
The crystal structures of {LnCu5}3+ (Ln = Gd, Dy and Ho) 15 metallacrown 5 complexes and a reevaluation of the isotypic EuIII analogue
... Refinement . The structure is isotypic to its Gd analogue, AVP815, and was solved by isomorphous replacement. A water molecule is partially occupied, inducing disorder for the nearby carbonate anion. The two ...
40
Understanding Differences between Equal Public Governance Models
... Ashby proposed variety as the measure for complexity in the 1950s. For him ‘[a]n essential feature of the good regulator is that it blocks the flow of vari- ety from disturbances to essential variables’ (Ashby, 1957, p. ...
20
On the Differences Between Process Models by Novice and Expert Modellers
... necessary models which were actually going to be used. Initially, the models written in English with connectedness over 50% and size of at least 190 nodes were ...bigger models would result in fewer ...
39
Sorting Out the Differences Between Signaling and Screening Models
... following two properties: One of the contracts, (p*.a*), lies in the neighborhood of (.&) and ii preferred to (.a) by every type in S except j and type j prefers (,a) to (p5,at); and[r] ...
43