将分子动力学模拟和分子力学/广义 Born 表面积计算整合到药效团建模中：以 Moloney 鼠白血病病毒 (Pim)-1 激酶抑制剂的前病毒整合位点为例。

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Integrating molecular dynamics simulation and molecular mechanics/generalized Born surface area calculation into pharmacophore modeling: a case study on the proviral integration site for Moloney murine leukemia virus (Pim)-1 kinase inhibitors.