Modeling protocols

The model reaction was based on hydrogen and a 5 wt.-% reactant solution the liquid reactant did not need to be specified [73]. Assuming efficient heat transfer, the reaction was regarded as isothermal. A catalyst of zero thickness was considered. As a base case, a channel of a depth of 100 pm and of a length of 20 mm, was used. A velocity of 10 mm s was assumed (Re = 0.04—0.78). Thereafter, these properties were varied during the modeling. 

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The industry task forces (ARTF, ORETF, and others) are generating model protocols, efficient and accurate methods of sample collection, and analytical methods of appropriate detectability for use in field-worker exposure studies. Subsequently, the task forces are conducting field studies that will generate data for inclusion in several generic databases. It is understood that the databases will be the property of the member companies who have financed the work of the task forces. It is hoped, however, that the task forces will see fit to publish their protocols, methods, study designs, and other useful information in a volume like this one so that other scientists working in this discipline may access the information. 

Combining 2D-NOESY and 2D-ROESY NMR experiments with molecular modelling protocols, Kuhn and Kunz32 have been able to study the saccharide-induced peptide conformational behaviour of the recognition region of Ll-Cadherin. The detailed conformational analysis of this key biomolecule not only proves that the saccharide side chain exerts a marked influence on the conformation of the peptide chain, but also that the size and type of the saccharide indeed strongly affects the conformation of the main chain. 

In order to classify promiscuous and selective compounds, we used the NB modeling protocol available in Pipeline Pilot (Scitegic) [53]. The data was split randomly into 5193 compounds for modeling and 574 compounds for testing the models. In addition to the test set, 302 known drugs were also profiled and kept separate for testing the models. All sets were checked visually to ensure that no chemical classes were overrepresented in one set or the other. 

More precisely, the model Additional Protocol is not for non-nuclear-weapon states party to the NPT only it is also opened for nuclear-weapon states as well as non-NPT states. See IAEA Model Protocol Additional to the Agreement(s) between State(s) and the International Atomic Energy Agency for the Application of Safeguards, IAEA Doc. INFCIRC/540, September 1997, foreword. 

Model protocol/procedures, inputs and outputs, and other relevant information/ documents should be retained so that they are retrievable for a specified period. 

Botkin JR, Croyle RT, Smith KR, Baty BJ, Lerman C, Goidgar DE, et al. A model protocol for evaluating the behavioral and psychosocial effects of BRCAl testing. J Natl Cancer Insti 1996 88 872-82. 

Guha R, Van Diie JH. Assessing how well a modelling protocol captures a structure-activity landscape. J Chem Inf Model 2008 48 1716-1728. 

Our low resolution RNA modeling protocol (7) generates a series of models for the structure of interest. The method permits us to identify conflicts in the experimental data, by a covariation analysis of the extent to which each experimental constraint is or is not satisfied by each model. By examining the variation in position of a given nucleotide in the different models, the protocol provides a statistical statement about the uncertainty in position of each nucleotide, in analogy with the temperature factors obtained from x-ray crystallography. 

In addition to the above, whenever the state has accepted the additional measures foreseen in the model protocol INFCIRC/540, IAEA inspectors are granted access to location-specific environmental sampling points where they may take samples of air, water, vegetation, soil, smears, etc., to confirm the absence of undeclared nuclear material or activities at the specified location (IAEA 1997). 

IAEA (1997) Model protocol additional to the agreement between the state and the IAEA for the application of safeguards, INFCIRC/540 (Corrected), IAEA... 

We thus set out to examine the role of pro-hormone conformation in its own maturation by solving the solution phase conformation of pro- (and pre-pro) GnRH protein through the use of NMR and molecular modeling protocols. 

Cerqueira, N.M. Fernandes, P.A. Eriksson, L.A. Ramos, M. J. MADAMM AMultistaged Docking with an Automated Molecular Modeling Protocol. Proteins Struct Funct Bio-inf 2009, 74 (1), 192-206. 

The model protocol outlined four key changes that must be incorporated into each NPT state-party s additional protocol. 

These useful methodologies together with computational modelling protocols provide an accurate picture of the binding process. 

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