High throughput virtual drug screening using spherical harmonic molecular surface representations
This thesis presents new spherical harmonic (SH) approaches for ligand-based high-throughput virtual screening (HTVS). If it is assumed that small drug molecules may be adequately superposed and distinguished by co-locating their centers of mass and by performing rotational correlations of their sha...
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University of Aberdeen
2009
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.499650 |