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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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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|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
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||Yes|
|Deposited On:||22 Feb 2008 13:00|
|Last Modified:||05 Aug 2009 13:42|