计算机辅助药物设计
计算机辅助药物设计（computer aided drug design）是以计算化学为基础，通过计算机的模拟、计算和预测药物与受体生物大分子之间的关系，设计和优化先导化合物的方法。计算机辅助药物设计实际上就是通过模拟和计算受体与配体的这种相互作用，进行先导化合物的优化与设计。计算机辅助药物设计包括活性位点分析法、数据库搜寻、全新药物设计等。
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计算机辅助药物设计
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| 一般文献 | 抗病毒药物设计 | GPCR受体药物 | 抗衰老药物设计 | 抗肿瘤药物设计 | 慢性病药物设计 | 人工智能辅助药物设计 | 老药新用 | 其它 |
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