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The database search starts with the conversion of the pharmacophore query defined in Cartesian space by tolerance spheres into a distance space representation, thereby eliminating translational and rotational degrees of freedom. Additionally, eachdistance constraint stores whether an intra- or intermolecularconstraint has been defined for the respective pair of featuresand whether a feature is constrained to be part of a protein orsmall molecule component. 发自小木虫Android客户端 |
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