发明名称 |
Methods 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.
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申请公布号 |
US2002099506(A1) |
申请公布日期 |
2002.07.25 |
申请号 |
US20010010725 |
申请日期 |
2001.11.30 |
申请人 |
FLORIANO WELY B.;VAIDEHI NAGARAJAN;GODDARD WILLIAM A. |
发明人 |
FLORIANO WELY B.;VAIDEHI NAGARAJAN;GODDARD WILLIAM A. |
分类号 |
G01N33/68;G06F19/16;(IPC1-7):G06G7/48;G06G7/58;G06F19/00;G01N33/48;G01N33/50 |
主分类号 |
G01N33/68 |
代理机构 |
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