Structure-Based Molecule Indexing for Sublinear Virtual Screening

Schellhammer, Ingo

ISBN 10: 3832512241 / ISBN 13: 9783832512248

Editore: Logos Verlag Berlin, 2006

Gut/Very good: Buch bzw. Schutzumschlag mit wenigen Gebrauchsspuren an Einband, Schutzumschlag oder Seiten. / Describes a book or dust jacket that does show some signs of wear on either the binding, dust jacket or pages. Codice articolo M03832512241-V

Riassunto:

The computer-aided design of drugs is a nearly 30-year-old vision of pharmaceutical research. The optimization of x-ray crystallograpic methods for elucidating protein structures with atomic precision has built the foundation for the in silico drug design approach. Today, developing a precise model of biochemical processes in a format that is amenable to computational processing is still in the focus of research. Especially the prediction of molecular interactions remains a research topic of utmost academic and economic relevance. The present PhD thesis of Ingo Schellhammer deals with the development of a novel computer-based approach for detecting potential pharmaceutical lead structures in large chemical libraries. The TrixX approach for the first time enables molecular screening based on modern database techniques in sublinear time. Thus, TrixX is an important milestone in the field of structure-based virtual screening.

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Titolo: Structure-Based Molecule Indexing for ...
Casa editrice: Logos Verlag Berlin
Data di pubblicazione: 2006
Legatura: Brossura
Condizione: very good