Download e-book for iPad: Application of Computational Techniques in Pharmacy and by Leonid Gorb,Victor Kuz'min,Eugene Muratov

By Leonid Gorb,Victor Kuz'min,Eugene Muratov

ISBN-10: 9401792569

ISBN-13: 9789401792561

ISBN-10: 9402406964

ISBN-13: 9789402406962

The proposed quantity presents either basic and distinctive information regarding the computational and computational-experimental reviews which enhance our wisdom of ways leaving topic capabilities, the various homes of substances (including the calculation and the layout of latest ones), and the construction of thoroughly new methods of treating numerical diseases. Whenever it's attainable, the interaction among idea and test is equipped. The ebook gains computational thoughts equivalent to quantum-chemical and molecular dynamic ways and quantitative structure–activity relationships.
The preliminary chapters describe the state-of-the artwork study at the computational investigations in molecular biology, molecular pharmacy, and molecular medication played with using natural quantum-chemical strategies. 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 stories which now are the most well-liked in predicting medicines’ 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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