Computational Chemistry: Theories, Methods and Applications - Couverture rigide

 
9781633213548: Computational Chemistry: Theories, Methods and Applications
Couverture rigide
ISBN 10 : 1633213544 ISBN 13 : 9781633213548
Editeur : Nova Science Publishers Inc, 2014

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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Éditeur
Nova Science Publishers Inc
Date d'édition
2014
Langue
anglais
ISBN 10 
1633213544
ISBN 13 
9781633213548
Reliure
Relié
Nombre de pages
139
Éditeur
Bove Daria
Coordonnées du fabricant
non disponible
Personne responsable
non disponible