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通过针对性分子动力学模拟,了解irksome Lys103Asn HIV-1逆转录酶突变体中耐药性的基础

Fátima Rodríguez-Barrios1, Federico Gago

  • 1Departamento de Farmacología, Universidad de Alcalá, E-28871 Alcalá de Henares, Madrid, Spain.

Journal of the American Chemical Society
|November 26, 2004
PubMed
概括

有针对性的分子动力学模拟显示,K103N突变酶的能量屏障更高. 这影响了与野生类型相比,非核酸逆转录酶抑制剂的结合口袋.

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