Physical Theoretical Chemistry

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 offers either basic and specific information regarding the computational and computational-experimental experiences which increase our wisdom of the way leaving topic services, 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 truly is attainable, the interaction among conception and test is equipped. The ebook good points computational options comparable to quantum-chemical and molecular dynamic ways and quantitative structure–activity relationships.
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


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