By Leonid Gorb,Victor Kuz'min,Eugene Muratov
The preliminary chapters describe the state-of-the artwork learn at the computational investigations in molecular biology, molecular pharmacy, and molecular drugs played with using natural quantum-chemical innovations. The crucial a part of the ebook illustrates the prestige of computational recommendations that make the most of hybrid, so known as QM/MM approximations in addition to the result of the QSAR reviews which now are the most well-liked in predicting medicines’ potency. The final chapters describe mixed computational and experimental investigations.
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