How Many Conformations of Enzymes Should Be Sampled for DFT/MM Calculations? A Case Study of Fluoroacetate Dehalogenase
- 期刊名称International Journal of Molecular Sciences
- 作者Li, Yanwei; Zhang, Ruiming; Du, Likai; Zhang, Qingzhu; Wang, Wenxing
- 卷第17卷
- 期第8期
- 电子ISSN1422-0067
- 文件大小1009.76KB
- 发表时间2016-08-20
- DOI10.3390/ijms17081372
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