conformational analysis


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conformational analysis

n
(Chemistry) chem the study of the spatial arrangement of atoms or groups of atoms in a molecule and the way in which this influences chemical behaviour
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(5) Conformational analysis A method of analyzing the relationship between a compound's conformation (three-dimensional structure) and its potential energy.
As a Richter Scholar, Buabeng is developing a module for the Chemistry 220 laboratory that utilizes computational methods to explore conformational analysis in cyclic and acyclic molecules.
Mohammadi, QM study and conformational analysis of an isatin Schiff base as a potential cytotoxic agent, J.
Conformational Analysis. Atropisomers occur when rotation around a C-C single bond is hindered by the rotational energy barrier.
In this subsection, HEMNMA, the approach for NMA-based conformational analysis of a series of images (using normal modes of a given density map), is presented together with an approach for NMA-based conformational analysis of a series of density maps (StructMap).
Crelux provides a number of customised services to support hit-finding, conformational analysis and lead optimisation, including protein production, biophysical assays, fragment screening, and X-ray crystallography.
Still other methods omit bisulphite treatment entirely, such as single-stranded conformational analysis. For now, however, the majority of DNA methylation assays that clinicians interacting with their local molecular translational research lab will encounter are all based around this core approach.
Ranking the formulations based on these findings revealed R25 to have the best results based on conformational analysis and particle counts (Figure 2).
In Circular Dichroism and the Conformational Analysis of Biomolecules (Fasman, G.
Naderi-Manesh, "Comparative studies on trifluoroethanol (TFE) state of a thermophilic [alpha]-amylase and its mesophilic counterpart: limited proteolysis, conformational analysis, aggregation and reactivation of the enzymes," International Journal of Biological Macromolecules, vol.
In such a way and in continuation of our previous report [20] we studied single-crystal X-ray and the theoretical conformational analysis of (4R)-(-)-1-(2,4,6-trimethylbenzenesulfonyl)-3-butyryl-4-tert-butyl-2-imidazolidinone (3), as a cyclic arylsulfonylurea, focusing on the configuration of substituents around the 2-imidazolidinone core and to establish the factors that influence this configuration and if this configuration can be predicted for new substituted 2-imidazolidinone.
Three-dimensional conformational analysis using the PubChem Database (http://pubchem.ncbi.nlm.nih.gov) showed that the cytotoxic potency of the C-18 fatty acids was related to their degree of conformational similarity to our cytotoxic reference compound.