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By Leonid Gorb,Victor Kuz'min,Eugene Muratov

The proposed quantity offers either basic and specific information regarding the computational and computational-experimental reviews which enhance our wisdom of the way leaving topic features, the several homes of gear (including the calculation and the layout of recent ones), and the production of thoroughly new methods of treating numerical diseases. Whenever it's attainable, the interaction among concept and scan is supplied. The e-book gains computational suggestions reminiscent of quantum-chemical and molecular dynamic techniques 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 drugs played with using natural quantum-chemical ideas. The principal a part of the publication illustrates the prestige of computational suggestions that make the most of hybrid, so known as QM/MM approximations in addition to the result of the QSAR reports 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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