Titlebook: Application of Computational Techniques in Pharmacy and Medicine; Leonid Gorb,Victor Kuz‘min,Eugene Muratov Book 2014 Springer Science+Bus

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Embodying Distorted Hot Cognition,acked arrays of guanine quartets connected by non-canonical hydrogen bonds. Novel anticancer strategy is based on the use of organic molecules that specifically target quadruplex structures present in telomeres and some other regions of the genome. We provide a brief overview of the structural featu

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Springer Series on Cultural Computingup to several hundreds of atoms, studying of reaction pathways and calculating precisely reaction energy values. The usage of the DFT approach for studying enzyme–substrate interactions could be a prospective way for elaborating new efficient enzyme inhibitors. This is a direct way to discovery of n

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Past Action and Ethical Orientation,thods are restricted by the fixation of source compounds, intermediates and products of reactions, quantum chemical calculations serve as the only direct approach for prediction of the structure and energy of transition states thus clarifying detailed mechanisms of chemical reactions. This chapter s

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https://doi.org/10.1057/9780230306561membrane permeability characteristics and broadly allows the prediction of the rate-limiting step in the intestinal absorption process following oral administration. When combined with the .dissolution characteristics of the drug product, the BCS takes into account three major factors: solubility, i