Molecular Design: Concepts and Applications

Schneider, Gisbert; Baringhaus, Karl-Heinz

ISBN 10: 3527314326 ISBN 13: 9783527314324

Verlag: Wiley-Vch, 2008

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Former library book; Pages can have notes/highlighting. Spine may show signs of wear. ~ ThriftBooks: Read More, Spend Less. Bestandsnummer des Verk�ufers G3527314326I3N10

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This first introductory-level textbook on the design of small molecules is written with the first-time user in mind. Aimed at students and scientists alike, it uses computer-based methods to design and analyze such small molecules as drugs, enzyme inhibitors, probes and markers for biomolecules. Both authors have extensive practical experience of modeling and design and share their knowledge of what can and cannot be done with computer-assisted design.
Divided into four sections, the book begins with a look at molecular objects and design objectives, including molecular geometry, properties, recognition and dynamics. Two further sections deal with virtual synthesis and screening, while the final section covers navigation in chemical space.
The result is a textbook that takes the modeler one step further, to the de novo design of functional molecules. With its study questions at the end of each learning unit, this is equally suitable for teaching and self-learning.

�ber die Autorin bzw. den Autor: Gisbert Schneider is Professor for Chemoinformatics and Bioinformatics at the University of Frankfurt (Germany). He studied Biochemistry, Medicine and Computer Science at the University of Berlin where he also obtained his PhD. He spent postdoctoral terms at the MIT in Cambridge, in Stockholm and Frankfurt before joining Hoffmann-La Roche in Basel. After five years in pharmaceutical research, he became the first Beilstein Professor for Chemoinformatics at the University of Franfurt. In 2006 he won the title "Professor of the Year" in the annual national contest run by the journal "Unicum".

Karl-Heinz Baringhaus is the Head of Computational Chemistry at Aventis Pharma in Frankfurt (Germany). He studied Chemistry at the University of M�nster where he also obtained his PhD degree. After a postdoctoral term at Stanford University he joined the Hoechst AG, where he was appointed head of Molecular Modeling and Computational Chemistry.

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Bibliografische Details

Titel: Molecular Design: Concepts and Applications
Verlag: Wiley-Vch
Erscheinungsdatum: 2008
Einband: Paperback
Zustand: Good
Zustand des Schutzumschlags: No Jacket

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