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By Leonid Gorb,Victor Kuz'min,Eugene Muratov

The proposed quantity presents either primary and specific information regarding the computational and computational-experimental reviews which enhance our wisdom of ways leaving topic features, the several homes of substances (including the calculation and the layout of recent ones), and the construction of thoroughly new methods of treating numerical diseases. Whenever it's attainable, the interaction among idea and scan is equipped. The ebook positive aspects computational strategies akin to quantum-chemical and molecular dynamic methods and quantitative structure–activity relationships.
The preliminary chapters describe the state-of-the artwork learn at the computational investigations in molecular biology, molecular pharmacy, and molecular medication played with using natural quantum-chemical options. The relevant a part of the publication illustrates the prestige of computational concepts that make the most of hybrid, so referred to as QM/MM approximations in addition to the result of the QSAR reviews 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

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