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Alignment of molecules by weighted field fit considering active shape

Dove, Stefan (2001) Alignment of molecules by weighted field fit considering active shape. In: Höltje, H.-D. and Sippl, W., (eds.) Rational Approaches to Drug Design - 13th European Symposium on QSAR. J. R. Prous Science, S. A., Barcelona, Philadelphia, 316 - 322.

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A systematic investigation of the advantages, drawbacks, and rules of the new weighted field fit method was presented and compared with other weighting approaches. The TAPA training and test series of benzamide type trypsin, thrombin, and factor Xa inhibitors, whose original alignment roughly reflects a common binding site of the three serine proteases, provide sufficient data for this goal. ...


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Item type:Book section
Institutions:Chemistry and Pharmacy > Institute of Pharmacy > Pharmaceutical/Medicinal Chemistry II (Prof. Buschauer)
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Dewey Decimal Classification:500 Science > 510 Mathematics
500 Science > 570 Life sciences
500 Science > 540 Chemistry & allied sciences
Refereed:No, this document will not be refereed
Created at the University of Regensburg:Yes
Item ID:5402
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