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商品編號:
DOC0407
商品名稱:
CRESSET-BMD FIELDALIGN V1.0.2
語系版本:
英文正式版
商品類型:
醫學構建模型軟體
運行平台:
WIN9x/WINME/WINNT/WIN2000/WINXP/WIN2003
更新日期:
2008-01-29
碟片數量:
1片
銷售價格:
100
瀏覽次數:
14829
熱門標籤:

轉載TXT文檔】  
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CRESSET-BMD FIELDALIGN V1.0.2
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破解說明:
Check /Crack for instructions.
內容說明:
FieldAlign?是一個分子排列工具, 用於醫學上構建模型.
英文說明:
FieldAlign?is a smart molecular alignment tool for modellers and medicinal
chemists. Given a 3D template molecule, it can align other molecules entered
in 2D to that template rapidly and in a biologically-relevant manner. The
template would commonly be an active molecule (or set of molecules) in its
bioactive conformation. The template molecule could be obtained from a
FieldTemplater?alignment hypothesis, a ligand extracted from the active
site of a protein, docking or pharmacophore studies.

FieldAlign?is ideal for visual inspection of alignments of actives from
different series and identifying shared field features or pharmacophores,
providing a qualitative indication of field SAR. FieldAlign is useful at
the early stage of library design as small virtual libraries can be aligned
to an active template and the chemist can select those scaffolds and monomers
which together best match the active field template. FieldAlign can also be
used as an aid to lead optimisation: iteratively changing molecules in
FieldAlign and observing the alignments and field patterns can provide
powerful insights into the direction that your chemistry should go. It is
also invaluable for overlaying series of molecules prior to 3D QSAR
studies where a good alignment of the molecules is critical for
obtaining meaningful models.



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