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Docking results show these programs can be applied in drug molecular design efficiently. 实测算例表明，这些程序能够有效地用于药物分子设计。
Drug molecular design began in the 1960s, and has been applied successfully to innovative drug discovery and optimization. 药物分子设计开始于1960年代，随后被广泛应用于创新药物先导结构的发现和优化并取得了突破性进展。
These results may provide valuable information and thinking on the drug molecular design and related enzymic structure analysis. 这些结果可能为药物分子设计和相关酶的结构分析提供了某些信息和思路。