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Improved Alignment by Weighted Field Fit in CoMFA of Histamine H_2 Receptor Agonistic Imidazolylpropylguanidines

Dove, Stefan and Buschauer, Armin (1999) Improved Alignment by Weighted Field Fit in CoMFA of Histamine H_2 Receptor Agonistic Imidazolylpropylguanidines. Quant. Struct.-Act. Relat. 18 (4), pp. 329-341.

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Other URL: http://www3.interscience.wiley.com/cgi-bin/abstract/66002427/ABSTRACT


Abstract

More realistic description of ligand-receptor interactions in CoMFA results from alignments considering surface and field properties instead of only molecular frameworks. The field fit algorithm implemented in SYBYL (Tripos Ass.) as part of the energy minimizer provides the possibility to assign individual weights to grid points. A new weighting function derives the significance of grid points ...

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Item Type:Article
Date:1999
Institutions:Chemistry and Pharmacy > Institute of Pharmacy > Pharmaceutical/Medicinal Chemistry II (Prof. Buschauer)
Keywords:CoMFA; weighted field fit; alignment rules; histamine H2 receptor agonists
Subjects:500 Science > 570 Life sciences
600 Technology > 610 Medical sciences Medicine
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Owner: Prof. Armin Buschauer
Deposited On:22 Feb 2008 13:00
Last Modified:05 Aug 2009 13:42
Item ID:3412
Owner Only: item control page
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