Editor(s): Bove, Daria. Num Pages: 139 pages. BIC Classification: PN. Category: (P) Professional & Vocational. Dimension: 234 x 158 x 18. Weight in Grams: 436. . 2014. Hardcover. . . . . Books ship from the US and Ireland.

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Bibliographic Details

Title: Computational Chemistry: Theories, Methods and Applications
Publisher: Nova Science Publishers Inc
Publication Date: 2014
Language: English
ISBN 10: 1633213544
ISBN 13: 9781633213548
Binding: Hardcover
Condition: New

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Synopsis

The development of new drugs always was time consuming and costly. With the development in experimental methods, it was possible to scan small-compound libraries in order to find potentially suitable molecules. Protein kinases are a class of enzymes involved in the great majority of cellular processes. This book begins with a discussion on the protein kinase targeting drug discovery and design. It continues with topics on computational chemistry investigation of UV filters; using the network simulation method to study ionic transport processes in electrochemical cells; molecular simulation of electron beam nanofabrication; interpreting of chiral ordering of hybrid system of several AZO dyes; a general procedure for a priori calculation of thermochemical properties of organic molecules and free radicals; strategies for design of new organic molecular rectifiers; and DFT studies.

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