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Theory can be coupled with atomic scale simulation in order to track the molecular transformations that occur over different surfaces and assess their catalytic activity and selectivity.
In this paper, we define a set of in vitro, DNA-based molecular transformations that can be linked to each other in such a way that the product of one transformation can activate or inhibit the production of one or several other DNA compounds.
Such an approach allows identification of molecular transformations that affect particular activities (e.g. toxicity).
This approach helped us to interpret QSAR models and allowed identification of a number of "significant" molecular transformations that affect the desired properties.
DRP1 is a complex protein that undergoes a number of molecular transformations that are required to constrict and separate the mitochondrial tubule.
The molecular transformations that occur during oncogenesis, which cause cancer cells to be pro-survival and anti-apoptotic are the same ones that interfere with immune responses against tumour cells (Fuchs and Matzinger, 1996; Pardoll, 2003).
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In the resulting catastrophic reëntry to Earth, the three men and Sue undergo a molecular transformation that endows them with new traits and powers, new forms and identities that, in comic-book terms, qualify them as superheroes but that, in teen-age terms, render them gross and grotesque.
The composition and molecular weight distribution transformations that underlie sequential LCB techniques are discussed.
This program is a geometry-based molecular docking algorithm aimed at finding docking transformations that yield good molecular complementary shape [28].
To investigate how this embodied interface supported students as they interpreted and related structural diagrams, we recruited naïve students (n = 6) to use the interface to explore how structural diagrams represent molecular structure and the spatial transformations that exist between them.
The two use cases described above show that prediction-driven MMP analysis allows the identification of transformations that affect particular molecular properties, so-called significant transformations.
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