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It would be better to use an explicit molecular representation of the solvent.
Figure 4 Molecular representation of SP1 at about 200 ns of MD showing the non amphipathic structure of the peptide.
The molecular representation of the gasoline is obtained using a lumping scheme from the detailed composition of a commercial gasoline.
Here, we developed PyBioMed, a python library, for realizing comprehensive molecular representation of various molecular objects and basic data analysis tasks.
The first stage of data preparation includes data collection, data cleaning by removing unwanted data, and appropriate molecular representation of underlying chemical compounds.
Molecular representation of the hydrocarbon feedstock is generated from analytical chemistry that is used to build a reaction network using graphic techniques to estimate rate parameters.
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Fig. 1 Molecular representations of SWCNT (a) and MWCNT (b) with typical TEM [9].
Therefore, all automatically detected deviations where additionally confirmed by visual comparison to the graphical molecular representations of the respective tools.
A stochastic method was devised to transform efficient sets of analytical characterizations into molecular representations of complex petroleum feedstocks.
Several molecular representations of thiophene, (a) wireframe, (b) stick/licorice, (c) ball and stick, (d) ball and stick with ring, (e) Van der Waals/CPK and (f) transparent Van der Waal's with stick.
There is still a gap between the molecular representations of disease-related processes and the clinical disease.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com