Minimization protocols

In general, traditionally designed acute toxicity tests can be divided into three types that can be called the minimal acute toxicity test, the complete acute toxicity test, and the supplemented acute toxicity test. Of these, the minimal protocol is by... 

While the effect of solvent in local geometry can be reasonably captured by minimization protocols implemented in most continuum models, the effect of solvent in conformation and in intermolecular geometry requires more powerful methods, since the conformational space of the solute(s) needs to be sample to explore regions which might be quite different from those important in the gas phase. This means that solvation methods need to be... 

FIGURE 10.1 Histogram of heavy atom RMSD between protein structures before and after initial energy minimization. The plot is generated from 83 nltrahigh resolution (<1 A) protein crystal structures (>50 residues, <50% sequence identity). The protein test set and minimization protocol are described in greater detail in reference [39], (From Figure 1 in Ln, M. and Ma, J Proc. Natl. Acad. Sci. U. S. A., 105,15358, 2008.)... 

Bonollo, S., Lanari, D., Longo, J.M., Vaccaro, L. 2012. E-factor minimized protocols for the polystyryl-BEMP catalyzed conjugate additions of varions nncleophUes to a,(3-unsaturated carbonyl componnds. Green Chemistry 14 164—169. 

Organic transformations which employ waste-minimizing protocols are important targets in the search for environmentally benign synthetic methods. To achieve this, considerable attention has been paid to the development of these synthetic methodologies. In particular, reactions involving direct C-H bond activation have been the focus of many investigations. 

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