期刊
CURRENT OPINION IN CHEMICAL BIOLOGY
卷 5, 期 4, 页码 375-382出版社
ELSEVIER SCI LTD
DOI: 10.1016/S1367-5931(00)00217-9
关键词
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Recent improvements in flexible docking technology may lead to a bigger role for computational methods in lead discovery. Although fast and accurate computational prediction of binding affinities for an arbitrary molecule is still beyond the limits of current methods, the docking and screening procedures can select small sets of likely lead candidates from large libraries of either commercially or synthetically available compounds.
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