It was not a simple process of molecular transformation with retention of all main functions.
Matching the time constants for the two processes indicates which molecular transformations are associated with major proton movements.
There exist cheminformatics browser components by ChemAxon (such as Marvin JS), but none of these components fulfilled our needs of complex molecular transformations when dealing with scaffolds.
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.
ATLANTA - With two bad knees, Shirley O. Corriher is not quite as nimble as she once was when she performs her "protein hop" -- an interpretive dance of sorts to demonstrate the molecular transformations that turn flour, eggs and sugar into a cake.
Figure 13 Exemplary molecular transformations.
One of the main ideas of MMP analysis is that some molecular transformations tend to systematically affect particular molecular properties.
MMP analysis has a practical goal: molecular transformations can help medicinal chemists to drive the molecular optimization process.
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.
An algorithm to automatically identify and extract matched molecular pairs from a collection of compounds has been developed, allowing the learning associated with each molecular transformation to be readily exploited in drug discovery projects.
