An inequality for 3D database searching and its use in evaluating the treatment of conformational flexibility

A mathematical formula is introduced for predicting the number of hits that should be observed in a flexible 3D database search, based on the results of a set of related queries. The projected number of hits is always greater than or equal to the actual number of hits, the discrepancy being due to i...

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Veröffentlicht in:	Journal of computer-aided molecular design 1996-12, Vol.10 (6), p.623-630
1. Verfasser:	Van Drie, J H
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Databases, Factual Drug Design Molecular Conformation Molecular Structure Oligopeptides - chemistry Protein Conformation
Online-Zugang:	Volltext
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