发明名称 |
VERFAHREN ZUM ENTWURF EINER PHYSIOLOGISCH AKTIVEN VERBINDUNG |
摘要 |
A method for selecting lead-candidate compounds capable of binding to a receptor biopolymer from a database containing information about atomic types and mode of covalent bonds of compounds by using a computer, comprising a step of selecting candidate compounds from compounds stored in the database based on quantitative, two-dimensional and/or three-dimensional information of one or more query molecules capable of binding to the biopolymer. The query molecules can be obtained by an automatic structure construction method, for example. The lead-candidate compounds capable of binding to the biopolymer can be retrieved rapidly by using an ordinary personal computer or workstation without requiring huge calculation. |
申请公布号 |
AT455083(T) |
申请公布日期 |
2010.01.15 |
申请号 |
AT19960938454T |
申请日期 |
1996.11.13 |
申请人 |
ITAI, AKIKO;INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. |
发明人 |
ITAI, AKIKO;TOMIOKA, NOBUO |
分类号 |
C07B61/00;C07K1/00;G06F17/50 |
主分类号 |
C07B61/00 |
代理机构 |
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代理人 |
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主权项 |
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地址 |
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