Application of Computational Techniques in Pharmacy and - download pdf or read online

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 primary and precise information regarding the computational and computational-experimental reviews which enhance our wisdom of the way leaving subject services, the several homes of gear (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 scan is supplied. The ebook positive factors computational ideas corresponding to quantum-chemical and molecular dynamic methods and quantitative structure–activity relationships.
The preliminary chapters describe the state-of-the paintings examine at the computational investigations in molecular biology, molecular pharmacy, and molecular drugs played with using natural quantum-chemical ideas. The significant a part of the booklet 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 stories which now are the preferred in predicting medications’ 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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