方法：计算机辅助药物设计的分子对接方法。
METHODS: Docking algorithm of computer aided molecular design as described in this paper.
药物小分子合成；计算机辅助药物设计；化学生物学。
Structure-based drug molecule design and organic synthesis; Chemical biology.
模拟抑制剂与靶标分子的结合作用是计算机辅助药物设计的关键部分。
Modeling interaction between inhibitor and target molecule is a key step in CADD.
计算机辅助药物分子设计近年来已成为新药创制的重要手段。 基于结构的合理药物分子设计则是多学科交互融合和渗透的体现。
Computer-aided molecular design (CAMD) is now an uprising subject in medicinal chemistry among which structure-based rational drug design is attracting more and more attention.
计算机辅助药物分子设计近年来已成为新药创制的重要手段。 基于结构的合理药物分子设计则是多学科交互融合和渗透的体现。
Computer-aided molecular design (CAMD) is now an uprising subject in medicinal chemistry among which structure-based rational drug design is attracting more and more attention.
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