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Molecular modeling study on the dynamical structural features of human smoothened receptor and binding mechanism of antagonist LY2940680 by metadynamics simulation and free energy calculation

Molecular modeling study on the dynamical structural features of human smoothened receptor and binding mechanism of antagonist LY2940680 by metadynamics simulation and free energy calculation

Bai, Qifeng; Shen, Yulin; Jin, Nengzhi; Liu, Huanxiang; Yao, Xiaojun
  • 期刊名称Biochimica et Biophysica Acta (BBA) - General Subjects
  • 作者Bai, Qifeng; Shen, Yulin; Jin, Nengzhi; Liu, Huanxiang; Yao, Xiaojun
  • 卷第1840卷
  • 期第7期
  • 印刷ISSN0304-4165
  • 文件大小3863.47KB
  • 发表时间2014-07
  • DOI10.1016/j.bbagen.2014.03.010
  • 页码2128-2138
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