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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...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Cambridge, U.K. :
Royal Society of Chemistry,
2012.
|
| Colección: | RSC drug discovery series ;
20. |
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 245 | 0 | 0 | |a Drug design strategies : |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 resource (x, 239 pages) : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 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. | ||
| 588 | 0 | |a Print version record. | |
| 505 | 0 | |a Introduction; Quantum Mechanical/Molecular Mechanical Approaches in Drug Design; Transition Metal Systems; Modeling Protein-Protein Interactions by Rigid-body Docking; QM Based Modelling; Semi-empirical Methods: Current Status and Future Directions; Quantum Chemical Topology: on Descriptors, Potentials and Fragments; Cheminformatics in Diverse Dimensions; Analysing Molecular Surface Properties; Atomistic Modelling of Drug Delivery Systems; Index. | |
| 590 | |a Knovel |b ACADEMIC - Pharmaceuticals, Cosmetics & Toiletries | ||
| 650 | 0 | |a Drugs |x Design |x Computer simulation. | |
| 650 | 0 | |a Drugs |x Design. | |
| 650 | 0 | |a Computer simulation. | |
| 650 | 0 | |a Digital computer simulation. | |
| 650 | 0 | |a Chemical models. | |
| 650 | 0 | |a QSAR (Biochemistry) | |
| 650 | 1 | 2 | |a Drug Design |
| 650 | 2 | |a Computer Simulation | |
| 650 | 2 | 2 | |a Models, Chemical |
| 650 | 2 | 2 | |a Models, Molecular |
| 650 | 2 | 2 | |a Molecular Dynamics Simulation |
| 650 | 2 | 2 | |a Chemical Phenomena |
| 650 | 2 | 2 | |a Quantitative Structure-Activity Relationship |
| 650 | 6 | |a Médicaments |x Conception |x Simulation par ordinateur. | |
| 650 | 6 | |a Médicaments |x Conception. | |
| 650 | 6 | |a Simulation par ordinateur. | |
| 650 | 6 | |a Modèles chimiques. | |
| 650 | 6 | |a Relations structure-activité quantitatives (Biochimie) | |
| 650 | 7 | |a simulation. |2 aat | |
| 650 | 7 | |a Pharmacology. |2 bicssc | |
| 650 | 7 | |a MEDICAL |x Drug Guides. |2 bisacsh | |
| 650 | 7 | |a MEDICAL |x Nursing |x Pharmacology. |2 bisacsh | |
| 650 | 7 | |a MEDICAL |x Pharmacology. |2 bisacsh | |
| 650 | 7 | |a MEDICAL |x Pharmacy. |2 bisacsh | |
| 650 | 7 | |a QSAR (Biochemistry) |2 fast |0 (OCoLC)fst01084801 | |
| 650 | 7 | |a Drugs |x Design |2 fast |0 (OCoLC)fst00898790 | |
| 650 | 7 | |a Digital computer simulation |2 fast |0 (OCoLC)fst00893651 | |
| 650 | 7 | |a Computer simulation |2 fast |0 (OCoLC)fst00872518 | |
| 650 | 7 | |a Chemical models |2 fast |0 (OCoLC)fst00853066 | |
| 650 | 7 | |a Drugs |x Design |x Computer simulation. |2 fast |0 (OCoLC)fst00898791 | |
| 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://appknovel.uam.elogim.com/kn/resources/kpDDSCTA01/toc |z Texto completo |
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