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