This latter type of copper II) chromophore has been carefully modelled by computational methods.
After the first step, the model enzyme was optimized by computational methods and directed evolution.
Part of the N-MIO mechanism was previously studied by computational methods.
The objective of this research is to realize wear prediction by computational methods.
Statistics is the primary way scientists identify patterns within their data, and thus, advances in fields applying statistics are often facilitated by computational methods.
Moreover, by computational methods, a possible binding site for AATs in nucleotide binding domain NBD1 has been detected.
The phase switching current was investigated with and without load resistor, and the released energies were calculated by computational methods.
In this work, new indazole ethers that possess dual activity as both cannabinoid agonists CB2 and inhibitors of BuChE have been designed by computational methods.
The approach further allows a detailed thermodynamic analysis and the evaluation of secondary structure predictions for multistable RNAs obtained by computational methods.
Then we present an example of how the current approach to visualize time series of meteorological images can be improved by computational methods, particularly by feature tracking.
To study the electron distribution and the intramolecular charge transfer the HOMO-LUMO levels of the dyes were calculated by computational methods and experimentally using electrochemical measurements.
