By Leonid Gorb,Victor Kuz'min,Eugene Muratov
The preliminary chapters describe the state-of-the paintings learn at the computational investigations in molecular biology, molecular pharmacy, and molecular medication played with using natural quantum-chemical options. The primary a part of the ebook illustrates the prestige of computational thoughts that make the most of hybrid, so referred to as QM/MM approximations in addition to the result of the QSAR reports which now are the most well-liked in predicting medicinal drugs’ potency. The final chapters describe mixed computational and experimental investigations.
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Application of Computational Techniques in Pharmacy and Medicine (Challenges and Advances in Computational Chemistry and Physics) by Leonid Gorb,Victor Kuz'min,Eugene Muratov