By Claudio N. Cavasotto

In Silico Drug Discovery and layout: idea, equipment, demanding situations, and Applications presents a complete, unified, and in-depth evaluation of the present methodological suggestions in computer-aided drug discovery and layout. Its major goals are to introduce the theoretical framework and algorithms, speak about the variety of validity, strengths and barriers of every technique, and current functions to actual global difficulties within the drug discovery area. exact emphasis has been given to the rising and so much urgent methodological demanding situations in in silico drug discovery and design.



The e-book assumes a uncomplicated wisdom of actual ideas and molecular modeling. specific consciousness has been paid to stipulate the underlying physico-chemical origin of the equipment defined, hence delivering the mandatory history to prevent a "black-box" method. In every one self-contained bankruptcy, this can be awarded including the most recent advancements and purposes, and the demanding situations that lie ahead.



Assembling a distinct crew of specialists to weigh in at the most crucial matters influencing glossy computational drug discovery and layout, this ebook constitutes either a machine connection with educational and commercial researchers within the box, and a textbook for college students within the quarter of molecular modeling and drug discovery.



Comprised of 18 chapters and divided into 3 elements, this e-book:





  • Provides a complete, unified, and in-depth assessment of the present methodological ideas in computer-aided drug discovery and design

  • Outlines the underlying physico-chemical origin of the tools described

  • Presents a number of purposes of computational ways to actual international difficulties within the drug layout field

  • Helps to prevent a "black-box" method of in silico drug discovery

  • Constitutes a precise textbook for college students within the quarter of molecular modeling and drug discovery

  • Gives the reader the sufficient history to stand the present demanding situations of the field



In Silico Drug Discovery and layout: idea, equipment, demanding situations, and Applications describes the theoretical framework, tools, useful functions and case examples suitable to computer-aided drug lead discovery and layout. this article will absolutely reduction in realizing the underlying actual starting place of computational instruments and their variety of software, hence facilitating the translation of simulation effects.


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In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications by Claudio N. Cavasotto


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