Instability conformational process

By obvious rearranging of the parameters Tj. in reverse order in conformity with formula. (42) the inherent instability of this process is more significant due to the fact that abnormal termination occurs very fastly for k=l2 (see Table 4). 

The mode of action of taxol involves binding to polymerized p-tubulin at a specific hydrophobic recepfor sife located deep within the tubular lumen. At standard therapeutic doses, which should lead to intracellular concentrations of 1-20 pM, taxol-tubulin binding promotes a stable tubulin conformation which renders the microtubules resistant to depolymerization and prone to polymerization. This promotes the elongation phase of microtubule dynamic instability at the expense of the shortening phase and inhibits the disassembly of the tubule into the mitotic spindle. In turn, this interrupts the normal process of cell division. At these... 

MD simulation may be ideally suited for unraveling molecular structures in amorphous solids that may lead to instability or favor crystalhzation of one polymorphic form over another. Xiang and Anderson [24b] recently conducted an MD simulation study of amorphous IMC assemblies containing 0.6% w/w water content to explore both structural properties (e.g., IMC hydrogen bonding patterns, distribution of various IMC conformations, and the nature of water-IMC interactions) as well as dynamic processes (e.g., relaxation processes within the IMC molecule, and water diffusion). To explore the entire conformational space by MD simulation, it was necessary to reduce the torsionM barrier for (j) from 29.0 to 8.0kcal/mol in order... 

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