Drug design strategies computational techniques and applications

This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and a...

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Bibliographic Details
Other Authors: Banting, Lee., Clark, Tim, 1949-
Format: eBook
Language: English
Published: Cambridge, U.K. : Royal Society of Chemistry, 2012.
Series: RSC drug discovery series ; 20.
Subjects:
Drugs > Design > Computer simulation.
elektronické knihy
electronic books
ISBN: 9781849733403
9781621981398
9781849731676
Physical Description: 1 online zdroj (x, 239 p.) : ill.

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Table of contents

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001 82324
003 CZ ZlUTB
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006 m o d
007 cr |n
008 120123s2012 enka sb 001 0 eng d
020 |a 9781849733403  |q (ebook) 
020 |a 9781621981398  |q (ebook) 
020 |z 9781849731676 
035 |a (OCoLC)773586492  |z (OCoLC)843641093 
040 |a UKRSC  |b eng  |c UKRSC  |d HEBIS  |d COO  |d MYG  |d KNOVL  |d OHS  |d OCLCQ  |d DEBSZ  |d YDXCP  |d N$T  |d KNOVL  |d OCLCF  |d KNOVL  |d NLGGC  |d NJR  |d ZCU  |d KNOVL  |d MHW  |d OCLCQ 
245 0 0 |a Drug design strategies  |h [elektronický zdroj] :  |b computational techniques and applications /  |c editors, Lee Banting and Tim Clark. 
260 |a Cambridge, U.K. :  |b Royal Society of Chemistry,  |c 2012. 
300 |a 1 online zdroj (x, 239 p.) :  |b ill. 
490 1 |a RSC Drug Discovery Series ;  |v 20 
504 |a Includes bibliographical references and index. 
520 |a This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and application of 2D cheminformatics, QSAR/QSPR, ADME properties of drugs, drug docking/scoring protocols and approaches, topological methodology, and modelling accurate inhibition constants of enzymes. Finally, the book gives the theory and applications of multiscale modelling of proteins and biomolecular systems.The information need for a book in this area is due to the continuing rapid advance of firstly theoretical approaches, secondly software/hardware and lastly the successful application of the technology and this book fills a gap in the literature. The co-editors have extensive experience of teaching and researching in the field and the book includes contributions from cutting-edge academic and industrial researchers in their respective fields. It is essential reading for medicinal chemists, computational chemists and those in the pharmaceutical industry. 
590 |a Knovel Library  |b ACADEMIC - Pharmaceuticals, Cosmetics & Toiletries 
506 |a Plný text je dostupný pouze z IP adres počítačů Univerzity Tomáše Bati ve Zlíně nebo vzdáleným přístupem pro zaměstnance a studenty univerzity 
650 0 |a Drugs  |x Design  |x Computer simulation. 
655 7 |a elektronické knihy  |7 fd186907  |2 czenas 
655 9 |a electronic books  |2 eczenas 
700 1 |a Banting, Lee. 
700 1 |a Clark, Tim,  |d 1949- 
776 0 8 |i Print version:  |t Drug design strategies.  |d Cambridge : Royal Society of Chemistry, 2012  |z 9781849731676  |w (OCoLC)759585091 
830 0 |a RSC drug discovery series ;  |v 20. 
856 4 0 |u https://proxy.k.utb.cz/login?url=http://app.knovel.com/hotlink/toc/id:kpDDSCTA01/drug_design_strategies__computational_techniques_and_applications  |y Plný text 
992 |a BK  |c KNOVEL 
999 |c 82324  |d 82324 

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