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化学进展 1998

配体-受体相互作用的计算机模拟及其在药物设计中的应用

蒋华良,胡增建,陈建忠,顾健德,朱维良,陈凯先,嵇汝运

Keywords: 配体-受体相互作用,分子模拟,理论计算,药物设计

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Abstract:

配体-受体相互作用在许多生物过程中起重要作用,计算机分子模拟技术和理论化学计算方法在配体-受体相互作用研究中得到了广泛的应用。本文综述了有关配体-受体相互作用分子模拟和理论计算的常用方法及其在药物设计中的应用。

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