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Atomic-level molecular dynamics simulations of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) bilayers containing small, amphiphilic, drug-like molecules were carried out to examine the influence of polar functionality on membrane partitioning and transport.
The conformational analysis and vertical excitation energies of carbazole-based molecules were carried out by B3LYP calculations with three basis sets: 6-31G, 6-31G(d) and 6-311G d 6-311G d
The docking studies of the above derived molecules were carried out with the targeted protein NS5B RNA polymerase.
DSC and TGA analyses to determine the thermal properties of the synthesized molecules were carried out (see Table 1).
Loading experiments with soluble MHC molecules were carried out as described [13].
The immunoblots for signaling molecules were carried out as previously described [34].
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The analysis within quantum theory of atoms in molecules was carried out for the explanation of this fact.
The filling of single-walled carbon nanotube films with 1-adamantanemethanol and 1-bromoadamantane molecules was carried out by a gas-phase procedure.
Pyrolysis of five gaseous fuel molecules was carried out within the temperature range of 1050 1350 °C under oxygen free condition and a fixed fuel concentration of 10,000 ppm on C1 basis.
In order to understand the extent to which molecular geometry affects surface coverage, a detailed comparison of the adsorption of two triol molecules was carried out: 1,3,5-benzenetriol which has a rigid phenyl backbone and 2-hydroxymethyl-1,3-propanediol with a flexible alkyl backbone.
This modification of the silicon surface by grafting of organic molecules was carried out by electrochemical reduction of 4-nitrobenzene diazonium tetrafluoroborate in an aqueous medium containing HF and H2SO4.
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species were carried
particles were carried
pathways were carried
criminals were carried
medications were carried
sequences were carried
compounds were carried
elements were carried
suspects were carried
molecules were designed
molecules were compared
molecules were considered
molecules were synthesized
molecules were chosen
molecules was carried
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