发明名称 |
Method and apparatus for predicting ligand binding interactions |
摘要 |
Computer-implemented methods and apparatus implement a hierarchy of molecular modeling techniques for predicting binding sites of ligands in proteins, designing new pharmaceuticals and understanding the interactions of proteins involved in microbial pathogens. The techniques employ a hierarchical strategy ranging from coarse grain to fine grain conformational search methods combined with hierarchical levels of accuracy in scoring functions. |
申请公布号 |
AU5095501(A) |
申请公布日期 |
2001.10.03 |
申请号 |
AU20010050955 |
申请日期 |
2001.03.23 |
申请人 |
CALIFORNIA INSTITUTE OF TECHNOLOGY |
发明人 |
WELY B. FLORIANO;NAGARAJAN VAIDEHI;WILLIAM A. GODDARD III |
分类号 |
G01N33/68;G06F19/16 |
主分类号 |
G01N33/68 |
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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