Virtual Screening
- ISBN-10
- 9535103083
- ISBN-13
- 9789535103080
- Category
- Medical
- Pages
- 110
- Language
- English
- Published
- 2012-03-14
- Publisher
- IntechOpen
- Author
- Mutasem Taha
Description
Pharmacophore modeling, QSAR analysis, CoMFA, CoMSIA, docking and molecular dynamics simulations, are currently implemented to varying degrees in virtual screening towards discovery of new bioactive hits. Implementation of such techniques requires multidisciplinary knowledge and experience. This volume discusses established methodologies as well as new trends in virtual screening with aim of facilitating their use in drug discovery.
Get the book
Other editions
-
- 2011-03-31
- 550 pages
- Ebook
- John Wiley & Sons
Similar books
-
Virtual Screening for Chemists
By Ishika Saha, Patrick G. HarranDemonstrative workflows have been included at the end of the e-book to allow you to familiarize yourself with the general steps involved in a virtual library screening pipeline.
-
Virtual Screening for Bioactive Molecules
By Gisbert Schneider, Hans-Joachim BöhmDie jüngsten Fortschritte in der kombinatorischen Chemie und Molekularbiologie haben die Strategien der pharmazeutischen Industrie bei der Wirkstoffsuche drastisch verändert.
-
Virtual Screening: An Alternative or Complement to High Throughput Screening?: Proceedings of the Workshop ‘New Approaches in Drug Design and...
By Gerhard KlebeIn the next couple of years the human genome will be fully sequenced. This will provide us with the sequence and overall function of all human genes as well as the complete genome for many micro-organisms.
-
Virtual Screening in Drug Discovery
By Brian Shoichet, Juan ÁlvarezVirtual screening can reduce costs and increase hit rates for lead discovery by eliminating the need for robotics, reagent acquisition or production, and compound storage facilities.
-
Chemoinformatics Approaches to Virtual Screening
By Alexandre Varnek, Alex TropshaDespite the intense efforts that go into the development and evaluation of novel methodologies and search tools, ... SBVS)3,4 and approaches that rely on structures of known active small molecules (ligand-based virtual screening, ...
-
Computation in BioInformatics: Multidisciplinary Applications
By S. Balamurugan, Anand T. Krishnan, Dinesh GoyalReddy, A.S., Pati, S.P., Kumar, P.P., Pradeep, H.N., Sastry, G.N., Virtual screening in drug discovery - a computational perspective. Curr. Protein Pept. Sci., 8, 4, 329–351, 2007. 4. Lavecchia, A. and Di Giovanni, C., Virtual screening ...
-
Virtual Screening and Drug Docking
Virtual Screening and Drug Docking, Volume 59 in the Annual Reports on Medicinal Chemistry series, highlights new advances in the field, with this new volume presenting interesting chapters on a variety of timely topics, including Can ...
-
Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment
By Kunal Roy, Supratik Kar, Rudra Narayan DasThis book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR.
-
Applied Chemoinformatics: Achievements and Future Opportunities
By Thomas Engel, Johann GasteigerEdited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field.
-
Virtual screening: methods and techniques
Virtual screening: methods and techniques