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With slab model, the catalytic properties of overlayer Pt on Cu substrate (Pt/Cu) are analyzed by first-principle calculations.

Single-event microkinetics (SEMK) are applied to model the catalytic cracking of (cyclo alkanes on an equilibrium catalyst in the absence of coke formation.

In our model, the catalytic domain of PLD1 first generates PA from PC in response to EGFR activation.

In the new model, the catalytic tyrosines are moved to attack DNA as a natural consequence of G-segment recognition and binding by the α3/α4 helices and by the 100-122 loop.

In this model, the catalytic requirements for ligation are encompassed exclusively in the C-lobe, its thioester-linked Ub, and the substrate.

To analyze the system dynamics of the hedgehog pathway, it may be sufficient to model the catalytic nature of Ptc1 action heuristically using rules that capture the nonlinear effects of Ptc1 on Smo: if Ptc1 is zero, Smo activation is at its normal or highest level, Vmax.

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The mass transport performance is evaluated by modeling the catalytic reaction of a mixture of methane and air.

This dataset was collected from the proteochemometric study published by Prusis et al., [41] which modeled the catalytic activity of the Dengue virus NS3 proteases from four viral serotypes using datapoints measured on 56 different tetra-peptide substrates (Table 1).

The biomimetic studies strongly suggest that among the various metal ions probed for modeling the catalytic activity of CO and PHS, MnII/III based systems are so far the most promising candidates apart from the nature's choice CuII.

Additionally, using the crystal structures of both domains, we modeled the catalytic reaction core in complex with DNA and a quinolone.

All four servers identified BjPutA (PDB entry 3HAZ) as the best template for modeling the catalytic core (RcPutA residues 1 972).

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