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RAPID: randomized pharmacophore identification for drug design

Computational Geometry: Theory and Applications, no. 4 (1998): 263-272

引用80|浏览46
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Abstract This paper describes a randomized,approach for finding invariants in a set of flexible ligands (drug molecules) that underlies an integrated software system called RAPID currently under development. An invariant is a collection of features embedded,in,which is present in one or more of the possible low-energy conformations of eac...更多

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