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The shoebox had been mistakenly stored on a shelf of shoes, and when I opened it I caught an unmissable whiff of smoked hide — a smell that could only have accumulated, molecule by molecule, over the course of years.

The reaction of catalytic epoxidation of cyclohexene molecule over the manganese porphyrin has been studied by the DFT methods.

Density functional theory calculations of the H2 molecule over the Pt(111), Pt4Pd5(111), Pt3Ir6(111), and Pt8Ru1(111) surfaces were carried out to derive key properties involving interactions and electronic state of each atom.

This understanding was developed on modeling the CO cleavage reaction of ethanol molecule over the stepped (2 1 1) surface of the metal catalysts using both carbon and oxygen binding energies as the descriptors.

The absolute solvent accessibility of a site is computed by rolling a 1.4 Å sphere, simulating a water molecule, over the residue's molecular surface.

As villin can bind both types of actin, we therefore cannot exclude that villin phosphorylation could favor the binding of one type of molecule over the other in infected cells to promote invasion.

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It clearly illustrates the ellipsoidal pattern of BSA molecule over which the nanoparticles were conjugated and formed an assembly pattern.

The aim of the present study is to analyze the role of one of these molecules over-expressed in the blood of operationally tolerant patients, SMILE or TMTC3, a protein whose function is still unknown.

In this reaction, methyl radicals produced were recombined to form ethane molecules over the Ag/TiO2.

This binding site contributed to the occupation probability of donor molecules over the possible site per M13 phage.

The distribution of molecules over the gas gas interaction energy is also analyzed and the obtained results suggest that the adsorbed molecules prefer a T-shaped stacking.

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