Chemoinformatics Approaches to Virtual Screening: Rsc
Virtual screening is commonly associated with methodologies that rely on the explicit knowledge of 3D structure of the target protein to identify potential bioactive compounds. This book is the first monograph to summarize the innovative applications of efficient chemoinformatics approaches towards screening large chemical libraries. The focus on virtual screening expands chemoinformatics beyond its traditional boundaries as a synthetic and data-analytical area of research towards its recognition as a predictive and decision-support scientific discipline. The monograph covers chemoinformatics approaches applicable to virtual screening of very…
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Produktdetails
Weitere Autoren: Johnson, Stephen R. (Solist) / Baskin, Igor (Solist)
- ISBN: 978-0-85404-144-2
- EAN: 9780854041442
- Produktnummer: 20925298
- Verlag: Royal Society Of Chemistry
- Sprache: Englisch
- Erscheinungsjahr: 2008
- Seitenangabe: 338 S.
- Masse: H23.6 cm x B15.7 cm x D2.5 cm 680 g
- Gewicht: 680
Über den Autor
Alexandre Varnek is Professor in Theoretical Chemistry at the Louis Pasteur University (ULP) France, and Head of the Laboratory of Chemoinformatics, Director of Master Courses on Chemoinformatics at the Faculty of Chemistry, ULP. He has 30 years experience in the fields of molecular modelling and chemoinformatics and more than 80 publications including a monograph. His current research projects include the development of new approaches and software tools for in silico design of new compounds. Alexander Tropsha is Head of the Laboratory for Molecular Modeling, School of Pharmacy at the University of North Carolina, Chapel Hill, USA as well as Professor and Chair, Division of Medicinal Chemistry and Natural Products at the School of Pharmacy. His research interests include Computer-Aided Drug Design, Chemoinformatics, and Structural Bioinformatics. He has authored or co-authored over 110 peer-reviewed research papers and book chapters.
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